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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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).