(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine

C14H13ClFNO — CID 107991958

IUPAC(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1C(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H13ClFNO/c1-18-13-5-3-2-4-10(13)14(17)9-6-7-11(15)12(16)8-9/h2-8,14H,17H2,1H3
InChIKeyPWHRVXZKORKQJV-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.54
Rot. Bonds3

About (4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine

(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine (PubChem CID 107991958) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine
PubChem CID107991958
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1C(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H13ClFNO/c1-18-13-5-3-2-4-10(13)14(17)9-6-7-11(15)12(16)8-9/h2-8,14H,17H2,1H3
InChIKeyPWHRVXZKORKQJV-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107994800
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474122
(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine
CID 24688761
(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine
CID 107998798
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 82782889
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 79701060
(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 63093313
(4-bromo-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545787
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine (CID 107991958) is (4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine is COc1ccccc1C(N)c1ccc(Cl)c(F)c1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine?
The InChIKey is PWHRVXZKORKQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-18-13-5-3-2-4-10(13)14(17)9-6-7-11(15)12(16)8-9/h2-8,14H,17H2,1H3.
What are the key properties of (4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine?
(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine has a molecular weight of 265.72 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 107991958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).