(1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine

C23H32N2O — CID 15285881

IUPAC(1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine
SMILESCOc1ccccc1CN[C@@H](C)[C@H](NC1CCCCC1)c1ccccc1
InChIInChI=1S/C23H32N2O/c1-18(24-17-20-13-9-10-16-22(20)26-2)23(19-11-5-3-6-12-19)25-21-14-7-4-8-15-21/h3,5-6,9-13,16,18,21,23-25H,4,7-8,14-15,17H2,1-2H3/t18-,23-/m0/s1
InChIKeyHADKOTMLADWKSP-MBSDFSHPSA-N
MW352.52 g/mol
LogP4.84
Rot. Bonds8

About (1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine

(1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine (PubChem CID 15285881) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is (1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name(1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine
PubChem CID15285881
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name(1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine
SMILESCOc1ccccc1CN[C@@H](C)[C@H](NC1CCCCC1)c1ccccc1
InChIInChI=1S/C23H32N2O/c1-18(24-17-20-13-9-10-16-22(20)26-2)23(19-11-5-3-6-12-19)25-21-14-7-4-8-15-21/h3,5-6,9-13,16,18,21,23-25H,4,7-8,14-15,17H2,1-2H3/t18-,23-/m0/s1
InChIKeyHADKOTMLADWKSP-MBSDFSHPSA-N
XLogP4.84
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine
CID 22405942
1-N'-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]-3-phenylpropane-1,1-diamine
CID 57042502
(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 54310024
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 63990355
N-cyclopropyl-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43086271
N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine
CID 83229129
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
(1S)-1-cycloheptyl-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81391569
2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine
CID 61227088
N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine?
The IUPAC name of (1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine (CID 15285881) is (1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine.
What is the SMILES notation for (1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine?
The canonical SMILES for (1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine is COc1ccccc1CN[C@@H](C)[C@H](NC1CCCCC1)c1ccccc1.
What is the InChIKey of (1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine?
The InChIKey is HADKOTMLADWKSP-MBSDFSHPSA-N. The full InChI is InChI=1S/C23H32N2O/c1-18(24-17-20-13-9-10-16-22(20)26-2)23(19-11-5-3-6-12-19)25-21-14-7-4-8-15-21/h3,5-6,9-13,16,18,21,23-25H,4,7-8,14-15,17H2,1-2H3/t18-,23-/m0/s1.
What are the key properties of (1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine?
(1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine has a molecular weight of 352.52 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine is sourced from PubChem (CID 15285881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).