(2,4-difluoro-3-methylphenyl)methanamine

C8H9F2N — CID 11469203

IUPAC(2,4-difluoro-3-methylphenyl)methanamine
SMILESCc1c(F)ccc(CN)c1F
InChIInChI=1S/C8H9F2N/c1-5-7(9)3-2-6(4-11)8(5)10/h2-3H,4,11H2,1H3
InChIKeyLPMVSOQQHWTDRH-UHFFFAOYSA-N
MW157.16 g/mol
LogP1.73
Rot. Bonds1

About (2,4-difluoro-3-methylphenyl)methanamine

(2,4-difluoro-3-methylphenyl)methanamine (PubChem CID 11469203) has the molecular formula C8H9F2N and a molecular weight of 157.16 g/mol. Its IUPAC name is (2,4-difluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,4-difluoro-3-methylphenyl)methanamine
PubChem CID11469203
Molecular FormulaC8H9F2N
Molecular Weight157.16 g/mol
Exact Mass157.07
IUPAC Name(2,4-difluoro-3-methylphenyl)methanamine
SMILESCc1c(F)ccc(CN)c1F
InChIInChI=1S/C8H9F2N/c1-5-7(9)3-2-6(4-11)8(5)10/h2-3H,4,11H2,1H3
InChIKeyLPMVSOQQHWTDRH-UHFFFAOYSA-N
XLogP1.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-4-fluoro-2-methylphenyl)methanamine
CID 84766568
(3,5-difluoro-2,4-dimethylphenyl)methanamine
CID 84765917
1-(2,4-difluoro-3-methylphenyl)butan-2-amine
CID 55254777
(2,4-difluoro-3-propylphenyl)methanamine
CID 165472681
3-(2,4-difluoro-3-methylphenyl)propan-1-ol
CID 66733705
(5-fluoro-1-methylnaphthalen-2-yl)methanamine
CID 115057589
(2,3-difluorophenyl)methanamine
CID 2736941
(2,3-difluoro-4-methylsulfonylphenyl)methanamine
CID 117315311
(2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 117064774
[2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine
CID 54911715
1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene
CID 91117287
(4-bromo-2,3-difluorophenyl)methanamine
CID 66820102

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-3-methylphenyl)methanamine?
The IUPAC name of (2,4-difluoro-3-methylphenyl)methanamine (CID 11469203) is (2,4-difluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (2,4-difluoro-3-methylphenyl)methanamine?
The canonical SMILES for (2,4-difluoro-3-methylphenyl)methanamine is Cc1c(F)ccc(CN)c1F.
What is the InChIKey of (2,4-difluoro-3-methylphenyl)methanamine?
The InChIKey is LPMVSOQQHWTDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N/c1-5-7(9)3-2-6(4-11)8(5)10/h2-3H,4,11H2,1H3.
What are the key properties of (2,4-difluoro-3-methylphenyl)methanamine?
(2,4-difluoro-3-methylphenyl)methanamine has a molecular weight of 157.16 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 11469203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).