4-(1-amino-2-phenylcyclohexyl)aniline

C18H22N2 — CID 162690255

IUPAC4-(1-amino-2-phenylcyclohexyl)aniline
SMILESNc1ccc(C2(N)CCCCC2c2ccccc2)cc1
InChIInChI=1S/C18H22N2/c19-16-11-9-15(10-12-16)18(20)13-5-4-8-17(18)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,19-20H2
InChIKeyMFQKCOHYOAREOK-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.78
Rot. Bonds2

About 4-(1-amino-2-phenylcyclohexyl)aniline

4-(1-amino-2-phenylcyclohexyl)aniline (PubChem CID 162690255) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-(1-amino-2-phenylcyclohexyl)aniline.

Molecular Properties

Compound Name4-(1-amino-2-phenylcyclohexyl)aniline
PubChem CID162690255
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-(1-amino-2-phenylcyclohexyl)aniline
SMILESNc1ccc(C2(N)CCCCC2c2ccccc2)cc1
InChIInChI=1S/C18H22N2/c19-16-11-9-15(10-12-16)18(20)13-5-4-8-17(18)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,19-20H2
InChIKeyMFQKCOHYOAREOK-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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-(1-amino-2-phenylcyclohexyl)aniline?
The IUPAC name of 4-(1-amino-2-phenylcyclohexyl)aniline (CID 162690255) is 4-(1-amino-2-phenylcyclohexyl)aniline.
What is the SMILES notation for 4-(1-amino-2-phenylcyclohexyl)aniline?
The canonical SMILES for 4-(1-amino-2-phenylcyclohexyl)aniline is Nc1ccc(C2(N)CCCCC2c2ccccc2)cc1.
What is the InChIKey of 4-(1-amino-2-phenylcyclohexyl)aniline?
The InChIKey is MFQKCOHYOAREOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c19-16-11-9-15(10-12-16)18(20)13-5-4-8-17(18)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,19-20H2.
What are the key properties of 4-(1-amino-2-phenylcyclohexyl)aniline?
4-(1-amino-2-phenylcyclohexyl)aniline has a molecular weight of 266.39 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-phenylcyclohexyl)aniline is sourced from PubChem (CID 162690255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).