4-(4-amino-1-phenylcyclohexyl)aniline

C18H22N2 — CID 46846207

IUPAC4-(4-amino-1-phenylcyclohexyl)aniline
SMILESNc1ccc(C2(c3ccccc3)CCC(N)CC2)cc1
InChIInChI=1S/C18H22N2/c19-16-8-6-15(7-9-16)18(12-10-17(20)11-13-18)14-4-2-1-3-5-14/h1-9,17H,10-13,19-20H2
InChIKeyFYXUEYBWGQIINN-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.46
Rot. Bonds2

About 4-(4-amino-1-phenylcyclohexyl)aniline

4-(4-amino-1-phenylcyclohexyl)aniline (PubChem CID 46846207) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-(4-amino-1-phenylcyclohexyl)aniline.

Molecular Properties

Compound Name4-(4-amino-1-phenylcyclohexyl)aniline
PubChem CID46846207
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-(4-amino-1-phenylcyclohexyl)aniline
SMILESNc1ccc(C2(c3ccccc3)CCC(N)CC2)cc1
InChIInChI=1S/C18H22N2/c19-16-8-6-15(7-9-16)18(12-10-17(20)11-13-18)14-4-2-1-3-5-14/h1-9,17H,10-13,19-20H2
InChIKeyFYXUEYBWGQIINN-UHFFFAOYSA-N
XLogP3.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-phenylcyclohexyl)aniline?
The IUPAC name of 4-(4-amino-1-phenylcyclohexyl)aniline (CID 46846207) is 4-(4-amino-1-phenylcyclohexyl)aniline.
What is the SMILES notation for 4-(4-amino-1-phenylcyclohexyl)aniline?
The canonical SMILES for 4-(4-amino-1-phenylcyclohexyl)aniline is Nc1ccc(C2(c3ccccc3)CCC(N)CC2)cc1.
What is the InChIKey of 4-(4-amino-1-phenylcyclohexyl)aniline?
The InChIKey is FYXUEYBWGQIINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c19-16-8-6-15(7-9-16)18(12-10-17(20)11-13-18)14-4-2-1-3-5-14/h1-9,17H,10-13,19-20H2.
What are the key properties of 4-(4-amino-1-phenylcyclohexyl)aniline?
4-(4-amino-1-phenylcyclohexyl)aniline has a molecular weight of 266.39 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-phenylcyclohexyl)aniline is sourced from PubChem (CID 46846207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).