(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine

C14H11ClF3N — CID 81044973

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine
SMILESCc1cc(C(N)c2cccc(F)c2F)c(Cl)cc1F
InChIInChI=1S/C14H11ClF3N/c1-7-5-9(10(15)6-12(7)17)14(19)8-3-2-4-11(16)13(8)18/h2-6,14H,19H2,1H3
InChIKeyISIPSJUBIDWIEK-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.11
Rot. Bonds2

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

(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine (PubChem CID 81044973) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine
PubChem CID81044973
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine
SMILESCc1cc(C(N)c2cccc(F)c2F)c(Cl)cc1F
InChIInChI=1S/C14H11ClF3N/c1-7-5-9(10(15)6-12(7)17)14(19)8-3-2-4-11(16)13(8)18/h2-6,14H,19H2,1H3
InChIKeyISIPSJUBIDWIEK-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-chloro-4-methylphenyl)methanamine
CID 106861126
(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine
CID 81045120
(2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483655
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
CID 81045582
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743
(2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine
CID 107476078
(3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045269
(2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine
CID 55101767
(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol
CID 115484592
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
CID 107998851
(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045501
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine (CID 81044973) is (2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine is Cc1cc(C(N)c2cccc(F)c2F)c(Cl)cc1F.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine?
The InChIKey is ISIPSJUBIDWIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c1-7-5-9(10(15)6-12(7)17)14(19)8-3-2-4-11(16)13(8)18/h2-6,14H,19H2,1H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine?
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)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-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine is sourced from PubChem (CID 81044973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).