(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine

C15H15ClFNO2 — CID 107992884

IUPAC(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Cl)c(F)c2)cc1OC
InChIInChI=1S/C15H15ClFNO2/c1-19-13-6-4-10(8-14(13)20-2)15(18)9-3-5-11(16)12(17)7-9/h3-8,15H,18H2,1-2H3
InChIKeyUHMXGAISWXNMEE-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.54
Rot. Bonds4

About (4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine

(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine (PubChem CID 107992884) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
PubChem CID107992884
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Cl)c(F)c2)cc1OC
InChIInChI=1S/C15H15ClFNO2/c1-19-13-6-4-10(8-14(13)20-2)15(18)9-3-5-11(16)12(17)7-9/h3-8,15H,18H2,1-2H3
InChIKeyUHMXGAISWXNMEE-UHFFFAOYSA-N
XLogP3.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 107991958
1-(4-chloro-3-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 107988738
(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 79701060
(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107994800
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474122
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(3-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 55164032
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 79700112
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine
CID 24688761

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine (CID 107992884) is (4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(Cl)c(F)c2)cc1OC.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine?
The InChIKey is UHMXGAISWXNMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-19-13-6-4-10(8-14(13)20-2)15(18)9-3-5-11(16)12(17)7-9/h3-8,15H,18H2,1-2H3.
What are the key properties of (4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine?
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine has a molecular weight of 295.74 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 107992884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).