cis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine

C29H45N3O2 — CID 157253761

IUPACcis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine
SMILESCCNC[C@]1(C)C[C@@H]1COCc1ccccc1.CCNC[C@]1(N)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C15H23NO.C14H22N2O/c1-3-16-12-15(2)9-14(15)11-17-10-13-7-5-4-6-8-13;1-2-16-11-14(15)8-13(14)10-17-9-12-6-4-3-5-7-12/h4-8,14,16H,3,9-12H2,1-2H3;3-7,13,16H,2,8-11,15H2,1H3/t14-,15+;13-,14-/m11/s1
InChIKeyAWQGTVCECAYJPY-FPFSXIRNSA-N
MW467.70 g/mol
LogP4.37
Rot. Bonds14

About cis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine

cis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine (PubChem CID 157253761) has the molecular formula C29H45N3O2 and a molecular weight of 467.70 g/mol. Its IUPAC name is cis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Namecis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine
PubChem CID157253761
Molecular FormulaC29H45N3O2
Molecular Weight467.70 g/mol
Exact Mass467.35
IUPAC Namecis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine
SMILESCCNC[C@]1(C)C[C@@H]1COCc1ccccc1.CCNC[C@]1(N)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C15H23NO.C14H22N2O/c1-3-16-12-15(2)9-14(15)11-17-10-13-7-5-4-6-8-13;1-2-16-11-14(15)8-13(14)10-17-9-12-6-4-3-5-7-12/h4-8,14,16H,3,9-12H2,1-2H3;3-7,13,16H,2,8-11,15H2,1H3/t14-,15+;13-,14-/m11/s1
InChIKeyAWQGTVCECAYJPY-FPFSXIRNSA-N
XLogP4.37
TPSA68.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.70
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
CID 90322673
diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate
CID 10946695
2-[[(1S,2S)-1-amino-2-(phenylmethoxymethyl)cyclopropyl]methyl]isoindole-1,3-dione;2-[[(1R,2S)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methyl]isoindole-1,3-dione
CID 157126243
(2,2-dimethyl-3-propylidenecyclobutyl)methoxymethylbenzene
CID 161112347
1-ethoxycarbonyl-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 85086376
[(1R,2S)-2-(aminomethyl)-2-propylcyclopropyl]methanol;[(1S,2R)-2-(phenylmethoxymethyl)-1-propylcyclopropyl]methanamine
CID 159667984
(2,2-dimethyl-3-propa-1,2-dienylcyclobutyl)methoxymethylbenzene
CID 155766116
1-(ethylamino)-2-methyl-3-phenylmethoxypropan-2-ol
CID 66334873
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine
CID 102940530
[(1S,2R,4S)-3,3-diethoxy-2-fluoro-4-(phenylmethoxymethyl)cyclobutyl]methoxymethylbenzene
CID 67751523
2,2-dimethyl-3-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
CID 13457405
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine?
The IUPAC name of cis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine (CID 157253761) is cis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for cis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for cis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine is CCNC[C@]1(C)C[C@@H]1COCc1ccccc1.CCNC[C@]1(N)C[C@@H]1COCc1ccccc1.
What is the InChIKey of cis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine?
The InChIKey is AWQGTVCECAYJPY-FPFSXIRNSA-N. The full InChI is InChI=1S/C15H23NO.C14H22N2O/c1-3-16-12-15(2)9-14(15)11-17-10-13-7-5-4-6-8-13;1-2-16-11-14(15)8-13(14)10-17-9-12-6-4-3-5-7-12/h4-8,14,16H,3,9-12H2,1-2H3;3-7,13,16H,2,8-11,15H2,1H3/t14-,15+;13-,14-/m11/s1.
What are the key properties of cis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine?
cis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine has a molecular weight of 467.70 g/mol, XLogP of 4.37, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-(ethylaminomethyl)-2-(phenylmethoxymethyl)cyclopropan-1-amine;N-[[(1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 157253761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).