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

C14H12ClF2N — CID 79746385

IUPAC(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(Cl)ccc2F)ccc1F
InChIInChI=1S/C14H12ClF2N/c1-8-6-9(2-4-12(8)16)14(18)11-7-10(15)3-5-13(11)17/h2-7,14H,18H2,1H3
InChIKeyFGDOEOFKNFFORC-UHFFFAOYSA-N
MW267.71 g/mol
LogP3.97
Rot. Bonds2

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

(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine (PubChem CID 79746385) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
PubChem CID79746385
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(Cl)ccc2F)ccc1F
InChIInChI=1S/C14H12ClF2N/c1-8-6-9(2-4-12(8)16)14(18)11-7-10(15)3-5-13(11)17/h2-7,14H,18H2,1H3
InChIKeyFGDOEOFKNFFORC-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625242
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556
(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842
(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195
(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine
CID 81045120
(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
CID 107998851
(4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine
CID 115828038
(5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 66258008
3-[amino-(5-chloro-2-fluorophenyl)methyl]aniline
CID 116936598

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine?
The IUPAC name of (5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine (CID 79746385) is (5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine is Cc1cc(C(N)c2cc(Cl)ccc2F)ccc1F.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine?
The InChIKey is FGDOEOFKNFFORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-8-6-9(2-4-12(8)16)14(18)11-7-10(15)3-5-13(11)17/h2-7,14H,18H2,1H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine?
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine has a molecular weight of 267.71 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 79746385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).