1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol

C14H22N2O — CID 126846834

IUPAC1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESNc1ccc(CNCC2(O)CCCCC2)cc1
InChIInChI=1S/C14H22N2O/c15-13-6-4-12(5-7-13)10-16-11-14(17)8-2-1-3-9-14/h4-7,16-17H,1-3,8-11,15H2
InChIKeyLWILZABRUIAGJU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.05
Rot. Bonds4

About 1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol

1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 126846834) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID126846834
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESNc1ccc(CNCC2(O)CCCCC2)cc1
InChIInChI=1S/C14H22N2O/c15-13-6-4-12(5-7-13)10-16-11-14(17)8-2-1-3-9-14/h4-7,16-17H,1-3,8-11,15H2
InChIKeyLWILZABRUIAGJU-UHFFFAOYSA-N
XLogP2.05
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide
CID 77056304
1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866735
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
1-[[(4-trimethylsilylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103437869
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
CID 62865493
1-[[(4-phenylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621532
1-[[[4-(cyclohexen-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 70303827
4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline
CID 114125839
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566
1-[(1H-pyrrol-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 66410082

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol (CID 126846834) is 1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol is Nc1ccc(CNCC2(O)CCCCC2)cc1.
What is the InChIKey of 1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is LWILZABRUIAGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-13-6-4-12(5-7-13)10-16-11-14(17)8-2-1-3-9-14/h4-7,16-17H,1-3,8-11,15H2.
What are the key properties of 1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol?
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 126846834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).