1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol

C16H23Cl2NO — CID 65117143

IUPAC1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNCc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H23Cl2NO/c1-15(2)3-5-16(20,6-4-15)11-19-10-12-7-13(17)9-14(18)8-12/h7-9,19-20H,3-6,10-11H2,1-2H3
InChIKeyQHWYRTQHEWZKAJ-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.41
Rot. Bonds4

About 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol

1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 65117143) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID65117143
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNCc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H23Cl2NO/c1-15(2)3-5-16(20,6-4-15)11-19-10-12-7-13(17)9-14(18)8-12/h7-9,19-20H,3-6,10-11H2,1-2H3
InChIKeyQHWYRTQHEWZKAJ-UHFFFAOYSA-N
XLogP4.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
CID 107740849
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 106816883
1-[[(2-chlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115350
N-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)methanamine
CID 114095565
1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 103991987
5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol
CID 65115532
2-chloro-6-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
CID 115951704
(2S)-1-[(3,5-dichlorophenyl)methylamino]propan-2-ol
CID 93304494
1-[[(5-bromofuran-2-yl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65116857
4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 65115591
4-[[(3-chlorophenyl)methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499358
N'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide
CID 77056852

Frequently Asked Questions

What is the IUPAC name of 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 65117143) is 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)(CNCc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is QHWYRTQHEWZKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-15(2)3-5-16(20,6-4-15)11-19-10-12-7-13(17)9-14(18)8-12/h7-9,19-20H,3-6,10-11H2,1-2H3.
What are the key properties of 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol?
1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 316.27 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65117143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).