[2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine

C14H13ClFNO — CID 114078458

IUPAC[2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine
SMILESCOc1ccc(-c2ccc(F)cc2CN)cc1Cl
InChIInChI=1S/C14H13ClFNO/c1-18-14-5-2-9(7-13(14)15)12-4-3-11(16)6-10(12)8-17/h2-7H,8,17H2,1H3
InChIKeyTZVQVSOJTATNSW-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.61
Rot. Bonds3

About [2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine

[2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine (PubChem CID 114078458) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine
PubChem CID114078458
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name[2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine
SMILESCOc1ccc(-c2ccc(F)cc2CN)cc1Cl
InChIInChI=1S/C14H13ClFNO/c1-18-14-5-2-9(7-13(14)15)12-4-3-11(16)6-10(12)8-17/h2-7H,8,17H2,1H3
InChIKeyTZVQVSOJTATNSW-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

[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
[2-(3,5-dichlorophenyl)-5-fluorophenyl]methanamine
CID 104729193
[5-fluoro-2-(2-methoxy-4-pyridinyl)phenyl]methanamine
CID 114078578
[2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine
CID 173141464
[5-fluoro-2-(2,3,4,5,6-pentachlorophenyl)phenyl]methanamine
CID 134631525
[5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 172653750
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
CID 115484396
4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole
CID 59983923
2-[5-(2-chloro-4-fluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670265
[4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine
CID 82487476

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine (CID 114078458) is [2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine is COc1ccc(-c2ccc(F)cc2CN)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine?
The InChIKey is TZVQVSOJTATNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-18-14-5-2-9(7-13(14)15)12-4-3-11(16)6-10(12)8-17/h2-7H,8,17H2,1H3.
What are the key properties of [2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine?
[2-(3-chloro-4-methoxyphenyl)-5-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 [2-(3-chloro-4-methoxyphenyl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 114078458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).