1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol

C14H20Cl2N2O — CID 106890503

IUPAC1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2c(Cl)cc(N)cc2Cl)CC1
InChIInChI=1S/C14H20Cl2N2O/c1-9-2-4-14(19,5-3-9)8-18-13-11(15)6-10(17)7-12(13)16/h6-7,9,18-19H,2-5,8,17H2,1H3
InChIKeyRAUXMSAISCEFGQ-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.93
Rot. Bonds3

About 1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol

1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol (PubChem CID 106890503) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol
PubChem CID106890503
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2c(Cl)cc(N)cc2Cl)CC1
InChIInChI=1S/C14H20Cl2N2O/c1-9-2-4-14(19,5-3-9)8-18-13-11(15)6-10(17)7-12(13)16/h6-7,9,18-19H,2-5,8,17H2,1H3
InChIKeyRAUXMSAISCEFGQ-UHFFFAOYSA-N
XLogP3.93
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.93
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

2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine
CID 114095331
1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115492
4-methyl-1-[(2,3,4,5,6-pentafluoroanilino)methyl]cyclohexan-1-ol
CID 65118223
5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115078
1-[[(6-aminopyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80842529
1-[(2-amino-4-methylanilino)methyl]-4-methylcyclohexan-1-ol
CID 65115401
3,5-difluoro-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]benzonitrile
CID 81294291
2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine
CID 106890863
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118322
2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 106502468
1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118460
4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide
CID 65115543

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol (CID 106890503) is 1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNc2c(Cl)cc(N)cc2Cl)CC1.
What is the InChIKey of 1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is RAUXMSAISCEFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-9-2-4-14(19,5-3-9)8-18-13-11(15)6-10(17)7-12(13)16/h6-7,9,18-19H,2-5,8,17H2,1H3.
What are the key properties of 1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol?
1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 303.23 g/mol, XLogP of 3.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 106890503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).