[1-(2-amino-4-methylanilino)-3-methylcyclohexyl]methanol

C15H24N2O — CID 62552651

IUPAC[1-(2-amino-4-methylanilino)-3-methylcyclohexyl]methanol
SMILESCc1ccc(NC2(CO)CCCC(C)C2)c(N)c1
InChIInChI=1S/C15H24N2O/c1-11-5-6-14(13(16)8-11)17-15(10-18)7-3-4-12(2)9-15/h5-6,8,12,17-18H,3-4,7,9-10,16H2,1-2H3
InChIKeyMGGBUEMKJLZXMN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.93
Rot. Bonds3

About [1-(2-amino-4-methylanilino)-3-methylcyclohexyl]methanol

[1-(2-amino-4-methylanilino)-3-methylcyclohexyl]methanol (PubChem CID 62552651) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [1-(2-amino-4-methylanilino)-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-amino-4-methylanilino)-3-methylcyclohexyl]methanol
PubChem CID62552651
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[1-(2-amino-4-methylanilino)-3-methylcyclohexyl]methanol
SMILESCc1ccc(NC2(CO)CCCC(C)C2)c(N)c1
InChIInChI=1S/C15H24N2O/c1-11-5-6-14(13(16)8-11)17-15(10-18)7-3-4-12(2)9-15/h5-6,8,12,17-18H,3-4,7,9-10,16H2,1-2H3
InChIKeyMGGBUEMKJLZXMN-UHFFFAOYSA-N
XLogP2.93
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.93
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

[1-(4-amino-2-bromoanilino)-3-methylcyclohexyl]methanol
CID 62550934
[1-(2-amino-5-fluoro-4-iodoanilino)-3-methylcyclohexyl]methanol
CID 66101096
[1-(2-amino-6-chloroanilino)-3-methylcyclohexyl]methanol
CID 62551812
1-[2-amino-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]phenyl]ethanone
CID 104612733
[3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 63208586
[1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80957977
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide
CID 62526492
2-[2-amino-5-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]phenyl]acetonitrile
CID 102624255
[1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80934546
[1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methylcyclohexyl]methanol
CID 115320724
2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylbenzamide
CID 106861928
[1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80957901

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-4-methylanilino)-3-methylcyclohexyl]methanol?
The IUPAC name of [1-(2-amino-4-methylanilino)-3-methylcyclohexyl]methanol (CID 62552651) is [1-(2-amino-4-methylanilino)-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(2-amino-4-methylanilino)-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-(2-amino-4-methylanilino)-3-methylcyclohexyl]methanol is Cc1ccc(NC2(CO)CCCC(C)C2)c(N)c1.
What is the InChIKey of [1-(2-amino-4-methylanilino)-3-methylcyclohexyl]methanol?
The InChIKey is MGGBUEMKJLZXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-5-6-14(13(16)8-11)17-15(10-18)7-3-4-12(2)9-15/h5-6,8,12,17-18H,3-4,7,9-10,16H2,1-2H3.
What are the key properties of [1-(2-amino-4-methylanilino)-3-methylcyclohexyl]methanol?
[1-(2-amino-4-methylanilino)-3-methylcyclohexyl]methanol has a molecular weight of 248.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-4-methylanilino)-3-methylcyclohexyl]methanol is sourced from PubChem (CID 62552651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).