[1-[(4-aminoanilino)methyl]cyclohexyl]methanol

C14H22N2O — CID 103965357

IUPAC[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
SMILESNc1ccc(NCC2(CO)CCCCC2)cc1
InChIInChI=1S/C14H22N2O/c15-12-4-6-13(7-5-12)16-10-14(11-17)8-2-1-3-9-14/h4-7,16-17H,1-3,8-11,15H2
InChIKeyNGGMHCKBEUGCFS-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.62
Rot. Bonds4

About [1-[(4-aminoanilino)methyl]cyclohexyl]methanol

[1-[(4-aminoanilino)methyl]cyclohexyl]methanol (PubChem CID 103965357) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [1-[(4-aminoanilino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
PubChem CID103965357
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
SMILESNc1ccc(NCC2(CO)CCCCC2)cc1
InChIInChI=1S/C14H22N2O/c15-12-4-6-13(7-5-12)16-10-14(11-17)8-2-1-3-9-14/h4-7,16-17H,1-3,8-11,15H2
InChIKeyNGGMHCKBEUGCFS-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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'}

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Related Compounds

[1-[(4-iodoanilino)methyl]cyclohexyl]methanol
CID 81412401
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide
CID 81413347
ethyl 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoate
CID 81400595
[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
CID 103965395
[1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol
CID 81411087
2-[4-[[1-(hydroxymethyl)cyclohexyl]methylamino]phenyl]-2-methylpropanenitrile
CID 81400328
[1-[(4-pentylanilino)methyl]cyclohexyl]methanol
CID 81400832
[1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol
CID 81419673
2-[2-amino-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]phenyl]acetonitrile
CID 102624620
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
N-[[1-(aminomethyl)cyclohexyl]methyl]aniline
CID 115438130
[1-[(3-aminoanilino)methyl]cyclopropyl]methanol
CID 115454159

Frequently Asked Questions

What is the IUPAC name of [1-[(4-aminoanilino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(4-aminoanilino)methyl]cyclohexyl]methanol (CID 103965357) is [1-[(4-aminoanilino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4-aminoanilino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(4-aminoanilino)methyl]cyclohexyl]methanol is Nc1ccc(NCC2(CO)CCCCC2)cc1.
What is the InChIKey of [1-[(4-aminoanilino)methyl]cyclohexyl]methanol?
The InChIKey is NGGMHCKBEUGCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-12-4-6-13(7-5-12)16-10-14(11-17)8-2-1-3-9-14/h4-7,16-17H,1-3,8-11,15H2.
What are the key properties of [1-[(4-aminoanilino)methyl]cyclohexyl]methanol?
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-aminoanilino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 103965357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).