1-N'-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]-3-phenylpropane-1,1-diamine

C23H32N2O — CID 57042502

IUPAC1-N'-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]-3-phenylpropane-1,1-diamine
SMILESCOc1ccccc1CNC(CCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C23H32N2O/c1-26-22-15-9-8-12-20(22)18-24-23(25-21-13-6-3-7-14-21)17-16-19-10-4-2-5-11-19/h2,4-5,8-12,15,21,23-25H,3,6-7,13-14,16-18H2,1H3
InChIKeyIPIFEEOOIHKHJG-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.67
Rot. Bonds9

About 1-N'-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]-3-phenylpropane-1,1-diamine

1-N'-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]-3-phenylpropane-1,1-diamine (PubChem CID 57042502) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-N'-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]-3-phenylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N'-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]-3-phenylpropane-1,1-diamine
PubChem CID57042502
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name1-N'-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]-3-phenylpropane-1,1-diamine
SMILESCOc1ccccc1CNC(CCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C23H32N2O/c1-26-22-15-9-8-12-20(22)18-24-23(25-21-13-6-3-7-14-21)17-16-19-10-4-2-5-11-19/h2,4-5,8-12,15,21,23-25H,3,6-7,13-14,16-18H2,1H3
InChIKeyIPIFEEOOIHKHJG-UHFFFAOYSA-N
XLogP4.67
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine
CID 15285881
1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine
CID 22405942
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
methyl 2-(cyclopentylamino)-4-phenylbutanoate
CID 62881627
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 63990355
N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81034896
3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 111457432

Frequently Asked Questions

What is the IUPAC name of 1-N'-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]-3-phenylpropane-1,1-diamine?
The IUPAC name of 1-N'-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]-3-phenylpropane-1,1-diamine (CID 57042502) is 1-N'-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]-3-phenylpropane-1,1-diamine.
What is the SMILES notation for 1-N'-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]-3-phenylpropane-1,1-diamine?
The canonical SMILES for 1-N'-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]-3-phenylpropane-1,1-diamine is COc1ccccc1CNC(CCc1ccccc1)NC1CCCCC1.
What is the InChIKey of 1-N'-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]-3-phenylpropane-1,1-diamine?
The InChIKey is IPIFEEOOIHKHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-26-22-15-9-8-12-20(22)18-24-23(25-21-13-6-3-7-14-21)17-16-19-10-4-2-5-11-19/h2,4-5,8-12,15,21,23-25H,3,6-7,13-14,16-18H2,1H3.
What are the key properties of 1-N'-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]-3-phenylpropane-1,1-diamine?
1-N'-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]-3-phenylpropane-1,1-diamine has a molecular weight of 352.52 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]-3-phenylpropane-1,1-diamine is sourced from PubChem (CID 57042502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).