(3-chlorophenyl)-(2,4-difluorophenyl)methanamine

C13H10ClF2N — CID 43197760

IUPAC(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
SMILESNC(c1cccc(Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C13H10ClF2N/c14-9-3-1-2-8(6-9)13(17)11-5-4-10(15)7-12(11)16/h1-7,13H,17H2
InChIKeyJDPJFZQXWDYMRI-UHFFFAOYSA-N
MW253.68 g/mol
LogP3.67
Rot. Bonds2

About (3-chlorophenyl)-(2,4-difluorophenyl)methanamine

(3-chlorophenyl)-(2,4-difluorophenyl)methanamine (PubChem CID 43197760) has the molecular formula C13H10ClF2N and a molecular weight of 253.68 g/mol. Its IUPAC name is (3-chlorophenyl)-(2,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
PubChem CID43197760
Molecular FormulaC13H10ClF2N
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
SMILESNC(c1cccc(Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C13H10ClF2N/c14-9-3-1-2-8(6-9)13(17)11-5-4-10(15)7-12(11)16/h1-7,13H,17H2
InChIKeyJDPJFZQXWDYMRI-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[amino-(2,4-difluorophenyl)methyl]aniline
CID 116936583
(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 114027936
(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105394907
(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine
CID 81045120
2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine
CID 66148494
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275
(5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine
CID 114030061
(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808205
3-[amino-(5-chloro-2-fluorophenyl)methyl]aniline
CID 116936598
(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine
CID 115791995
(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283015

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2,4-difluorophenyl)methanamine?
The IUPAC name of (3-chlorophenyl)-(2,4-difluorophenyl)methanamine (CID 43197760) is (3-chlorophenyl)-(2,4-difluorophenyl)methanamine.
What is the SMILES notation for (3-chlorophenyl)-(2,4-difluorophenyl)methanamine?
The canonical SMILES for (3-chlorophenyl)-(2,4-difluorophenyl)methanamine is NC(c1cccc(Cl)c1)c1ccc(F)cc1F.
What is the InChIKey of (3-chlorophenyl)-(2,4-difluorophenyl)methanamine?
The InChIKey is JDPJFZQXWDYMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N/c14-9-3-1-2-8(6-9)13(17)11-5-4-10(15)7-12(11)16/h1-7,13H,17H2.
What are the key properties of (3-chlorophenyl)-(2,4-difluorophenyl)methanamine?
(3-chlorophenyl)-(2,4-difluorophenyl)methanamine has a molecular weight of 253.68 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2,4-difluorophenyl)methanamine is sourced from PubChem (CID 43197760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).