4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine

C24H31NO — CID 158438247

IUPAC4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine
SMILESCCC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H31NO/c1-2-18-8-12-21(13-9-18)25-24-16-23(24)20-10-14-22(15-11-20)26-17-19-6-4-3-5-7-19/h3-7,10-11,14-15,18,21,23-25H,2,8-9,12-13,16-17H2,1H3/t18?,21?,23-,24+/m1/s1
InChIKeyHCMMYWYGSGEMQU-VJZJYSEDSA-N
MW349.52 g/mol
LogP5.68
Rot. Bonds7

About 4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine

4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine (PubChem CID 158438247) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine
PubChem CID158438247
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine
SMILESCCC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H31NO/c1-2-18-8-12-21(13-9-18)25-24-16-23(24)20-10-14-22(15-11-20)26-17-19-6-4-3-5-7-19/h3-7,10-11,14-15,18,21,23-25H,2,8-9,12-13,16-17H2,1H3/t18?,21?,23-,24+/m1/s1
InChIKeyHCMMYWYGSGEMQU-VJZJYSEDSA-N
XLogP5.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine
CID 78097111
4-N-[(1R,2S)-2-[4-(pyridin-3-ylmethoxy)phenyl]cyclopropyl]cyclohexane-1,4-diamine
CID 71553561
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 78097199
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine
CID 90395406
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
N-[[2-(4-phenylmethoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62703658
2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
CID 70907298
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
CID 56639915
tert-butyl N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]carbamate
CID 101043563

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine (CID 158438247) is 4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine is CCC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine?
The InChIKey is HCMMYWYGSGEMQU-VJZJYSEDSA-N. The full InChI is InChI=1S/C24H31NO/c1-2-18-8-12-21(13-9-18)25-24-16-23(24)20-10-14-22(15-11-20)26-17-19-6-4-3-5-7-19/h3-7,10-11,14-15,18,21,23-25H,2,8-9,12-13,16-17H2,1H3/t18?,21?,23-,24+/m1/s1.
What are the key properties of 4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine?
4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine has a molecular weight of 349.52 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine is sourced from PubChem (CID 158438247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).