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

C15H24N2O — CID 65115401

IUPAC1-[(2-amino-4-methylanilino)methyl]-4-methylcyclohexan-1-ol
SMILESCc1ccc(NCC2(O)CCC(C)CC2)c(N)c1
InChIInChI=1S/C15H24N2O/c1-11-5-7-15(18,8-6-11)10-17-14-4-3-12(2)9-13(14)16/h3-4,9,11,17-18H,5-8,10,16H2,1-2H3
InChIKeyRZQBBKLQRRJFRC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.93
Rot. Bonds3

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

1-[(2-amino-4-methylanilino)methyl]-4-methylcyclohexan-1-ol (PubChem CID 65115401) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(2-amino-4-methylanilino)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-amino-4-methylanilino)methyl]-4-methylcyclohexan-1-ol
PubChem CID65115401
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(2-amino-4-methylanilino)methyl]-4-methylcyclohexan-1-ol
SMILESCc1ccc(NCC2(O)CCC(C)CC2)c(N)c1
InChIInChI=1S/C15H24N2O/c1-11-5-7-15(18,8-6-11)10-17-14-4-3-12(2)9-13(14)16/h3-4,9,11,17-18H,5-8,10,16H2,1-2H3
InChIKeyRZQBBKLQRRJFRC-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-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115399
1-[(2-amino-5-bromo-4-fluoroanilino)methyl]-4-methylcyclohexan-1-ol
CID 116736031
1-[[(8-aminoisoquinolin-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115683
1-[(2-amino-4-bromoanilino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115736
4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide
CID 65115543
3-fluoro-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]benzonitrile
CID 65118368
3-bromo-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]benzonitrile
CID 82809081
1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol
CID 106890503
2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-5-methylbenzonitrile
CID 107931305
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118322
4-[(2,5-dimethylanilino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499023
1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115492

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-methylanilino)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(2-amino-4-methylanilino)methyl]-4-methylcyclohexan-1-ol (CID 65115401) is 1-[(2-amino-4-methylanilino)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-amino-4-methylanilino)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-amino-4-methylanilino)methyl]-4-methylcyclohexan-1-ol is Cc1ccc(NCC2(O)CCC(C)CC2)c(N)c1.
What is the InChIKey of 1-[(2-amino-4-methylanilino)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is RZQBBKLQRRJFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-5-7-15(18,8-6-11)10-17-14-4-3-12(2)9-13(14)16/h3-4,9,11,17-18H,5-8,10,16H2,1-2H3.
What are the key properties of 1-[(2-amino-4-methylanilino)methyl]-4-methylcyclohexan-1-ol?
1-[(2-amino-4-methylanilino)methyl]-4-methylcyclohexan-1-ol 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)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65115401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).