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

C14H12F3N — CID 62515674

IUPAC(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H12F3N/c1-8-2-4-11(15)10(6-8)14(18)9-3-5-12(16)13(17)7-9/h2-7,14H,18H2,1H3
InChIKeyPSOLCQPIMUWNRA-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.46
Rot. Bonds2

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

(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine (PubChem CID 62515674) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
PubChem CID62515674
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H12F3N/c1-8-2-4-11(15)10(6-8)14(18)9-3-5-12(16)13(17)7-9/h2-7,14H,18H2,1H3
InChIKeyPSOLCQPIMUWNRA-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62514124
(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514449
4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
CID 105143249
(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986
(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130353
(2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine
CID 115852651
(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842
(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 62505966
(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 62515845
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine (CID 62515674) is (3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine is Cc1ccc(F)c(C(N)c2ccc(F)c(F)c2)c1.
What is the InChIKey of (3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine?
The InChIKey is PSOLCQPIMUWNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-8-2-4-11(15)10(6-8)14(18)9-3-5-12(16)13(17)7-9/h2-7,14H,18H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine?
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine has a molecular weight of 251.25 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 62515674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).