(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine

C14H11Cl2F2N — CID 107998851

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
SMILESCc1cc(C(N)c2ccc(Cl)c(F)c2)c(Cl)cc1F
InChIInChI=1S/C14H11Cl2F2N/c1-7-4-9(11(16)6-12(7)17)14(19)8-2-3-10(15)13(18)5-8/h2-6,14H,19H2,1H3
InChIKeyWILUWXGSOJVYLP-UHFFFAOYSA-N
MW302.15 g/mol
LogP4.63
Rot. Bonds2

About (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine

(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine (PubChem CID 107998851) has the molecular formula C14H11Cl2F2N and a molecular weight of 302.15 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
PubChem CID107998851
Molecular FormulaC14H11Cl2F2N
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
SMILESCc1cc(C(N)c2ccc(Cl)c(F)c2)c(Cl)cc1F
InChIInChI=1S/C14H11Cl2F2N/c1-7-4-9(11(16)6-12(7)17)14(19)8-2-3-10(15)13(18)5-8/h2-6,14H,19H2,1H3
InChIKeyWILUWXGSOJVYLP-UHFFFAOYSA-N
XLogP4.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine
CID 81045120
(2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 105394677
(3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045269
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106861126
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
CID 81045582
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743
(4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine
CID 115828038

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine (CID 107998851) is (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine is Cc1cc(C(N)c2ccc(Cl)c(F)c2)c(Cl)cc1F.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine?
The InChIKey is WILUWXGSOJVYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2N/c1-7-4-9(11(16)6-12(7)17)14(19)8-2-3-10(15)13(18)5-8/h2-6,14H,19H2,1H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine?
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine has a molecular weight of 302.15 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine is sourced from PubChem (CID 107998851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).