[4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine

C15H15ClFNO — CID 43530909

IUPAC[4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine
SMILESCc1cc(OCc2ccc(CN)cc2F)ccc1Cl
InChIInChI=1S/C15H15ClFNO/c1-10-6-13(4-5-14(10)16)19-9-12-3-2-11(8-18)7-15(12)17/h2-7H,8-9,18H2,1H3
InChIKeyNCXZJFLXQBEEDG-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.83
Rot. Bonds4

About [4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine

[4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine (PubChem CID 43530909) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is [4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine
PubChem CID43530909
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name[4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine
SMILESCc1cc(OCc2ccc(CN)cc2F)ccc1Cl
InChIInChI=1S/C15H15ClFNO/c1-10-6-13(4-5-14(10)16)19-9-12-3-2-11(8-18)7-15(12)17/h2-7H,8-9,18H2,1H3
InChIKeyNCXZJFLXQBEEDG-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine 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-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 43621898
[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531350
[3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine
CID 43345550
[3-[(4-bromo-3-methylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 83134024
[4-[(2-chloro-6-fluorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 83050975
[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338262
[3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine
CID 55077923
[3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine
CID 102663465
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethylaniline
CID 12526906
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline
CID 64768695
[4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine
CID 43530931

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine?
The IUPAC name of [4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine (CID 43530909) is [4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine?
The canonical SMILES for [4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine is Cc1cc(OCc2ccc(CN)cc2F)ccc1Cl.
What is the InChIKey of [4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine?
The InChIKey is NCXZJFLXQBEEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-6-13(4-5-14(10)16)19-9-12-3-2-11(8-18)7-15(12)17/h2-7H,8-9,18H2,1H3.
What are the key properties of [4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine?
[4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine has a molecular weight of 279.74 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine is sourced from PubChem (CID 43530909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).