[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine

C14H13ClFNO — CID 54910650

IUPAC[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
SMILESCOc1ccc(-c2cc(CN)ccc2F)cc1Cl
InChIInChI=1S/C14H13ClFNO/c1-18-14-5-3-10(7-12(14)15)11-6-9(8-17)2-4-13(11)16/h2-7H,8,17H2,1H3
InChIKeyGSALPWJSAFJYQD-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.61
Rot. Bonds3

About [3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine

[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine (PubChem CID 54910650) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is [3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
PubChem CID54910650
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
SMILESCOc1ccc(-c2cc(CN)ccc2F)cc1Cl
InChIInChI=1S/C14H13ClFNO/c1-18-14-5-3-10(7-12(14)15)11-6-9(8-17)2-4-13(11)16/h2-7H,8,17H2,1H3
InChIKeyGSALPWJSAFJYQD-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine
CID 54910100
[2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine
CID 114078458
[3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine
CID 114076769
[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 39233257
[4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 81446939
4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene
CID 82123483
[4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine
CID 61032743
[3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine
CID 103523744
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
N-[[4-(3-chloro-4-methoxyphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441468
2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid
CID 176513648
[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine
CID 113324837

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine?
The IUPAC name of [3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine (CID 54910650) is [3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine is COc1ccc(-c2cc(CN)ccc2F)cc1Cl.
What is the InChIKey of [3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine?
The InChIKey is GSALPWJSAFJYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-18-14-5-3-10(7-12(14)15)11-6-9(8-17)2-4-13(11)16/h2-7H,8,17H2,1H3.
What are the key properties of [3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine?
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine has a molecular weight of 265.72 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 54910650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).