(1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine

C14H23NO2 — CID 11447743

IUPAC(1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine
SMILESCOCCN(C)[C@@H](C)[C@@H](OC)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-12(15(2)10-11-16-3)14(17-4)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3/t12-,14+/m0/s1
InChIKeyAJGCYCKZTNYIIT-GXTWGEPZSA-N
MW237.34 g/mol
LogP2.34
Rot. Bonds7

About (1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine

(1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine (PubChem CID 11447743) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine
PubChem CID11447743
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine
SMILESCOCCN(C)[C@@H](C)[C@@H](OC)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-12(15(2)10-11-16-3)14(17-4)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3/t12-,14+/m0/s1
InChIKeyAJGCYCKZTNYIIT-GXTWGEPZSA-N
XLogP2.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxy-1-phenylpropan-2-yl)-N-methylformamide
CID 145356517
N,N,N',N'-tetrakis(2-methoxyethyl)-1,2-diphenylethane-1,2-diamine
CID 613655
3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile
CID 62778735
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine
CID 62984847
CID 10962188
CID 10962188
2-N-(2-methoxyethyl)-2-N-methyl-1-(4-methylphenyl)propane-1,2-diamine
CID 61426974
2-[2-methoxyethyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 82960332
2-N-methyl-1-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055828
2-methoxy-N-methyl-N-[1-phenylpropoxy(pyridin-4-yl)methyl]ethanamine
CID 122224079
(1R)-1-[(1R,2R)-2-methoxy-1,2-diphenylethoxy]-N,N-dimethylethanamine
CID 139888708
1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55142037
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine?
The IUPAC name of (1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine (CID 11447743) is (1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for (1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine?
The canonical SMILES for (1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine is COCCN(C)[C@@H](C)[C@@H](OC)c1ccccc1.
What is the InChIKey of (1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine?
The InChIKey is AJGCYCKZTNYIIT-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(15(2)10-11-16-3)14(17-4)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3/t12-,14+/m0/s1.
What are the key properties of (1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine?
(1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 11447743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).