4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol

C14H22N2O — CID 106120121

IUPAC4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol
SMILESCc1ccc(N)c(NCC2CCC(O)CC2)c1
InChIInChI=1S/C14H22N2O/c1-10-2-7-13(15)14(8-10)16-9-11-3-5-12(17)6-4-11/h2,7-8,11-12,16-17H,3-6,9,15H2,1H3
InChIKeyWJBDVBMWHULDKL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.54
Rot. Bonds3

About 4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol

4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol (PubChem CID 106120121) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol
PubChem CID106120121
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol
SMILESCc1ccc(N)c(NCC2CCC(O)CC2)c1
InChIInChI=1S/C14H22N2O/c1-10-2-7-13(15)14(8-10)16-9-11-3-5-12(17)6-4-11/h2,7-8,11-12,16-17H,3-6,9,15H2,1H3
InChIKeyWJBDVBMWHULDKL-UHFFFAOYSA-N
XLogP2.54
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[(4-hydroxycyclohexyl)methylamino]benzonitrile
CID 106120182
4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol
CID 106120184
3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol
CID 106119622
1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine
CID 43370979
4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine
CID 115468475
4-[(2-amino-4-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
CID 106120140
4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol
CID 106120085
4-methyl-2-N-(thian-2-ylmethyl)benzene-1,2-diamine
CID 80595363
4-amino-3-[(4-ethylcyclohexyl)methylamino]benzoic acid
CID 82784863
4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
CID 106120262
3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol
CID 106119533
4-[[(5-amino-1H-indazol-6-yl)amino]methyl]cyclohexan-1-ol
CID 106120243

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol (CID 106120121) is 4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol is Cc1ccc(N)c(NCC2CCC(O)CC2)c1.
What is the InChIKey of 4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol?
The InChIKey is WJBDVBMWHULDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-2-7-13(15)14(8-10)16-9-11-3-5-12(17)6-4-11/h2,7-8,11-12,16-17H,3-6,9,15H2,1H3.
What are the key properties of 4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol?
4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106120121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).