(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine

C14H11ClF3N — CID 105397363

IUPAC(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(F)ccc2Cl)c(F)cc1F
InChIInChI=1S/C14H11ClF3N/c1-7-4-10(13(18)6-12(7)17)14(19)9-5-8(16)2-3-11(9)15/h2-6,14H,19H2,1H3
InChIKeyKOZAZINMGIKBOQ-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.11
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine

(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine (PubChem CID 105397363) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
PubChem CID105397363
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(F)ccc2Cl)c(F)cc1F
InChIInChI=1S/C14H11ClF3N/c1-7-4-10(13(18)6-12(7)17)14(19)9-5-8(16)2-3-11(9)15/h2-6,14H,19H2,1H3
InChIKeyKOZAZINMGIKBOQ-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743
(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79725047
(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045501
(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105394907
(2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 105394677
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197872
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106861126
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
CID 81045582
(5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 106684492
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
CID 107998851
(2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 106861105

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine?
The IUPAC name of (2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine (CID 105397363) is (2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine is Cc1cc(C(N)c2cc(F)ccc2Cl)c(F)cc1F.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine?
The InChIKey is KOZAZINMGIKBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c1-7-4-10(13(18)6-12(7)17)14(19)9-5-8(16)2-3-11(9)15/h2-6,14H,19H2,1H3.
What are the key properties of (2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine?
(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine has a molecular weight of 285.70 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 105397363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).