1-N-(4-methoxycyclohexyl)-3-phenylbenzene-1,2-diamine

C19H24N2O — CID 176655069

IUPAC1-N-(4-methoxycyclohexyl)-3-phenylbenzene-1,2-diamine
SMILESCOC1CCC(Nc2cccc(-c3ccccc3)c2N)CC1
InChIInChI=1S/C19H24N2O/c1-22-16-12-10-15(11-13-16)21-18-9-5-8-17(19(18)20)14-6-3-2-4-7-14/h2-9,15-16,21H,10-13,20H2,1H3
InChIKeyGFWQPGKDYQMCIL-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.31
Rot. Bonds4

About 1-N-(4-methoxycyclohexyl)-3-phenylbenzene-1,2-diamine

1-N-(4-methoxycyclohexyl)-3-phenylbenzene-1,2-diamine (PubChem CID 176655069) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-N-(4-methoxycyclohexyl)-3-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-methoxycyclohexyl)-3-phenylbenzene-1,2-diamine
PubChem CID176655069
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-N-(4-methoxycyclohexyl)-3-phenylbenzene-1,2-diamine
SMILESCOC1CCC(Nc2cccc(-c3ccccc3)c2N)CC1
InChIInChI=1S/C19H24N2O/c1-22-16-12-10-15(11-13-16)21-18-9-5-8-17(19(18)20)14-6-3-2-4-7-14/h2-9,15-16,21H,10-13,20H2,1H3
InChIKeyGFWQPGKDYQMCIL-UHFFFAOYSA-N
XLogP4.31
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

US11673883, Example 30
CID 132166352
4-Fluoro-5-methyl-N-{1-[cis-4-(propyloxy)cyclohexyl]-4-piperidinyl}-1,2-benzenediamine
CID 59419722
N-{1-[trans-4-(Ethyloxy)cyclohexyl]-4-piperidinyl}-4-fluoro-5-methyl-1,2-benzenediamine
CID 59419730
4-Fluoro-5-methyl-N-(1-{trans-4-[(1-methylethyl)oxy]cyclohexyl}-4-piperidinyl)-1,2-benzenediamine
CID 59419766
(2-Amino-4-fluoro-5-methylphenyl){1-[cis-4-(methyloxy)cyclohexyl]-4-piperidinyl}amine
CID 59419773
3-[1-(4-Ethoxycyclohexyl)piperidin-4-yl]-4-fluorobenzene-1,2-diamine
CID 66741764
cis-3-Fluoro-5-methyl-N-[1-(4-methoxycyclohexyl)-4-piperidinyl]-1,2-benzenediamine
CID 67342921
trans-3-Fluoro-5-methyl-N-[1-(4-propoxycyclohexyl)-4-piperidinyl]-1,2-benzenediamine
CID 67345182
trans-3-Fluoro-5-methyl-N-[1-(4-ethoxycyclohexyl)-4-piperidinyl]-1,2-benzenediamine
CID 67345803
4-fluoro-2-N,5-dimethyl-1-N-[1-(4-propan-2-yloxycyclohexyl)piperidin-4-yl]benzene-1,2-diamine
CID 89563504
3-fluoro-2-N-[(2S)-1-methoxy-3-(4-methylphenyl)propan-2-yl]-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 155774449
1-N-[(2S)-1-methoxy-3-(4-methylphenyl)propan-2-yl]-2-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 155774529

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxycyclohexyl)-3-phenylbenzene-1,2-diamine?
The IUPAC name of 1-N-(4-methoxycyclohexyl)-3-phenylbenzene-1,2-diamine (CID 176655069) is 1-N-(4-methoxycyclohexyl)-3-phenylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(4-methoxycyclohexyl)-3-phenylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(4-methoxycyclohexyl)-3-phenylbenzene-1,2-diamine is COC1CCC(Nc2cccc(-c3ccccc3)c2N)CC1.
What is the InChIKey of 1-N-(4-methoxycyclohexyl)-3-phenylbenzene-1,2-diamine?
The InChIKey is GFWQPGKDYQMCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-22-16-12-10-15(11-13-16)21-18-9-5-8-17(19(18)20)14-6-3-2-4-7-14/h2-9,15-16,21H,10-13,20H2,1H3.
What are the key properties of 1-N-(4-methoxycyclohexyl)-3-phenylbenzene-1,2-diamine?
1-N-(4-methoxycyclohexyl)-3-phenylbenzene-1,2-diamine has a molecular weight of 296.41 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxycyclohexyl)-3-phenylbenzene-1,2-diamine is sourced from PubChem (CID 176655069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).