4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline

C25H34N2 — CID 22315929

IUPAC4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline
SMILESNc1ccc(C2(c3ccc(N)cc3)CCC(CC3CCCCC3)CC2)cc1
InChIInChI=1S/C25H34N2/c26-23-10-6-21(7-11-23)25(22-8-12-24(27)13-9-22)16-14-20(15-17-25)18-19-4-2-1-3-5-19/h6-13,19-20H,1-5,14-18,26-27H2
InChIKeyOTJGQCKLRTWPPS-UHFFFAOYSA-N
MW362.56 g/mol
LogP6.30
Rot. Bonds4

About 4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline

4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline (PubChem CID 22315929) has the molecular formula C25H34N2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline
PubChem CID22315929
Molecular FormulaC25H34N2
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC Name4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline
SMILESNc1ccc(C2(c3ccc(N)cc3)CCC(CC3CCCCC3)CC2)cc1
InChIInChI=1S/C25H34N2/c26-23-10-6-21(7-11-23)25(22-8-12-24(27)13-9-22)16-14-20(15-17-25)18-19-4-2-1-3-5-19/h6-13,19-20H,1-5,14-18,26-27H2
InChIKeyOTJGQCKLRTWPPS-UHFFFAOYSA-N
XLogP6.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline?
The IUPAC name of 4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline (CID 22315929) is 4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline.
What is the SMILES notation for 4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline?
The canonical SMILES for 4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline is Nc1ccc(C2(c3ccc(N)cc3)CCC(CC3CCCCC3)CC2)cc1.
What is the InChIKey of 4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline?
The InChIKey is OTJGQCKLRTWPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2/c26-23-10-6-21(7-11-23)25(22-8-12-24(27)13-9-22)16-14-20(15-17-25)18-19-4-2-1-3-5-19/h6-13,19-20H,1-5,14-18,26-27H2.
What are the key properties of 4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline?
4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline has a molecular weight of 362.56 g/mol, XLogP of 6.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline is sourced from PubChem (CID 22315929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).