4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine

C14H19ClFNO — CID 103037922

IUPAC4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(OCc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H19ClFNO/c1-17-11-3-5-12(6-4-11)18-9-10-2-7-14(16)13(15)8-10/h2,7-8,11-12,17H,3-6,9H2,1H3
InChIKeyAEQJHZUWWPLLMW-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.53
Rot. Bonds4

About 4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine

4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine (PubChem CID 103037922) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
PubChem CID103037922
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(OCc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H19ClFNO/c1-17-11-3-5-12(6-4-11)18-9-10-2-7-14(16)13(15)8-10/h2,7-8,11-12,17H,3-6,9H2,1H3
InChIKeyAEQJHZUWWPLLMW-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine 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

4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
CID 103046492
3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103041633
4-(cyclobutyloxymethyl)-1,2-difluorobenzene
CID 155941931
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
CID 80503769
8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740542
2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline
CID 43169048
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 63476637
3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine
CID 103040498
4-[(3,4-difluorophenyl)methoxy]piperidine
CID 67355988
2-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylguanidine
CID 62532592
2-chloro-4-(cyclobutyloxymethyl)-1-(trifluoromethyl)benzene
CID 155024081
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine (CID 103037922) is 4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine is CNC1CCC(OCc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine?
The InChIKey is AEQJHZUWWPLLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-17-11-3-5-12(6-4-11)18-9-10-2-7-14(16)13(15)8-10/h2,7-8,11-12,17H,3-6,9H2,1H3.
What are the key properties of 4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine?
4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine has a molecular weight of 271.76 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 103037922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).