4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol

C14H20ClNO2 — CID 115149405

IUPAC4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol
SMILESCOc1ccc(N(C)C2CCC(O)CC2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-16(10-3-6-12(17)7-4-10)11-5-8-14(18-2)13(15)9-11/h5,8-10,12,17H,3-4,6-7H2,1-2H3
InChIKeyJCFDFZXPHYPLBS-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.09
Rot. Bonds3

About 4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol

4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol (PubChem CID 115149405) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol
PubChem CID115149405
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol
SMILESCOc1ccc(N(C)C2CCC(O)CC2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-16(10-3-6-12(17)7-4-10)11-5-8-14(18-2)13(15)9-11/h5,8-10,12,17H,3-4,6-7H2,1-2H3
InChIKeyJCFDFZXPHYPLBS-UHFFFAOYSA-N
XLogP3.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-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

N-(3-chloro-4-methoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 115145780
4-(2-methoxy-N,4,6-trimethylanilino)cyclohexan-1-ol
CID 115149449
4-(4-ethoxy-3-fluoro-N-methylanilino)cyclohexan-1-ol
CID 115149430
4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol
CID 115149418
2-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylpyrimidine-2,4-diamine
CID 90357546
4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol
CID 10096488
4-[(3-chloro-4-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674248
4-(N,4-dimethylanilino)cyclohexan-1-ol
CID 114762541
3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119807515
N-(3-chloro-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807540
2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 82021046
4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol
CID 115149526

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol?
The IUPAC name of 4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol (CID 115149405) is 4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol is COc1ccc(N(C)C2CCC(O)CC2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol?
The InChIKey is JCFDFZXPHYPLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16(10-3-6-12(17)7-4-10)11-5-8-14(18-2)13(15)9-11/h5,8-10,12,17H,3-4,6-7H2,1-2H3.
What are the key properties of 4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol?
4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol has a molecular weight of 269.77 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol is sourced from PubChem (CID 115149405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).