(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine

C14H12Cl2FNO — CID 105396862

IUPAC(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
SMILESCOc1cc(Cl)ccc1C(N)c1cc(F)ccc1Cl
InChIInChI=1S/C14H12Cl2FNO/c1-19-13-6-8(15)2-4-10(13)14(18)11-7-9(17)3-5-12(11)16/h2-7,14H,18H2,1H3
InChIKeyYXQOXWAITKXXRI-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.19
Rot. Bonds3

About (2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine

(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine (PubChem CID 105396862) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
PubChem CID105396862
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
SMILESCOc1cc(Cl)ccc1C(N)c1cc(F)ccc1Cl
InChIInChI=1S/C14H12Cl2FNO/c1-19-13-6-8(15)2-4-10(13)14(18)11-7-9(17)3-5-12(11)16/h2-7,14H,18H2,1H3
InChIKeyYXQOXWAITKXXRI-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

(2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791354
(2,5-dichlorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43093792
(4-chloro-2-methoxyphenyl)-(3,5-difluorophenyl)methanamine
CID 115851745
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852897
(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 115862069
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105394907
(4-chloro-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 105016596
(4-chloro-2-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197289
(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474122
(2,4-difluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791413
(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197872

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine?
The IUPAC name of (2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine (CID 105396862) is (2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine is COc1cc(Cl)ccc1C(N)c1cc(F)ccc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine?
The InChIKey is YXQOXWAITKXXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-19-13-6-8(15)2-4-10(13)14(18)11-7-9(17)3-5-12(11)16/h2-7,14H,18H2,1H3.
What are the key properties of (2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine?
(2-chloro-5-fluorophenyl)-(4-chloro-2-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-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine is sourced from PubChem (CID 105396862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).