(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine

C14H12Cl2FNO — CID 43474122

IUPAC(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(Cl)ccc2Cl)cc1F
InChIInChI=1S/C14H12Cl2FNO/c1-19-13-5-2-8(6-12(13)17)14(18)10-7-9(15)3-4-11(10)16/h2-7,14H,18H2,1H3
InChIKeyNKHURBMGGHEAOB-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.19
Rot. Bonds3

About (2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine

(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine (PubChem CID 43474122) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
PubChem CID43474122
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(Cl)ccc2Cl)cc1F
InChIInChI=1S/C14H12Cl2FNO/c1-19-13-5-2-8(6-12(13)17)14(18)10-7-9(15)3-4-11(10)16/h2-7,14H,18H2,1H3
InChIKeyNKHURBMGGHEAOB-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
(5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82883361
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197530
(4-bromo-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545787
(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 43131063
(3-bromo-4-chlorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 115566906
(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 107991958
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 62505966
(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 105396862
(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 63093313
(4-chloro-3-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107994800

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine (CID 43474122) is (2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2cc(Cl)ccc2Cl)cc1F.
What is the InChIKey of (2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is NKHURBMGGHEAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-19-13-5-2-8(6-12(13)17)14(18)10-7-9(15)3-4-11(10)16/h2-7,14H,18H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine has a molecular weight of 300.16 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 43474122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).