(3,5-difluoro-2,4-dimethylphenyl)methanamine

C9H11F2N — CID 84765917

IUPAC(3,5-difluoro-2,4-dimethylphenyl)methanamine
SMILESCc1c(F)cc(CN)c(C)c1F
InChIInChI=1S/C9H11F2N/c1-5-7(4-12)3-8(10)6(2)9(5)11/h3H,4,12H2,1-2H3
InChIKeyIJXNFAHNKUZWIS-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.04
Rot. Bonds1

About (3,5-difluoro-2,4-dimethylphenyl)methanamine

(3,5-difluoro-2,4-dimethylphenyl)methanamine (PubChem CID 84765917) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is (3,5-difluoro-2,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3,5-difluoro-2,4-dimethylphenyl)methanamine
PubChem CID84765917
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name(3,5-difluoro-2,4-dimethylphenyl)methanamine
SMILESCc1c(F)cc(CN)c(C)c1F
InChIInChI=1S/C9H11F2N/c1-5-7(4-12)3-8(10)6(2)9(5)11/h3H,4,12H2,1-2H3
InChIKeyIJXNFAHNKUZWIS-UHFFFAOYSA-N
XLogP2.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine
CID 84770610
(2,4-difluoro-3-methylphenyl)methanamine
CID 11469203
2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid
CID 84792629
3,5-difluoro-2,4-dimethylbenzenethiol
CID 175617271
(4,5-difluoro-2-iodophenyl)methanamine
CID 86775727
2-(2,4,5-trifluoro-3-methylphenyl)ethanamine
CID 18184170
2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol
CID 84776170
(4-chloro-2,3,5-trifluorophenyl)methanamine
CID 117110798
(2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 117064774
5-(aminomethyl)-2,3,4-trimethylaniline
CID 23346989
2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde
CID 117276479
[3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine
CID 123483002

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-2,4-dimethylphenyl)methanamine?
The IUPAC name of (3,5-difluoro-2,4-dimethylphenyl)methanamine (CID 84765917) is (3,5-difluoro-2,4-dimethylphenyl)methanamine.
What is the SMILES notation for (3,5-difluoro-2,4-dimethylphenyl)methanamine?
The canonical SMILES for (3,5-difluoro-2,4-dimethylphenyl)methanamine is Cc1c(F)cc(CN)c(C)c1F.
What is the InChIKey of (3,5-difluoro-2,4-dimethylphenyl)methanamine?
The InChIKey is IJXNFAHNKUZWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-5-7(4-12)3-8(10)6(2)9(5)11/h3H,4,12H2,1-2H3.
What are the key properties of (3,5-difluoro-2,4-dimethylphenyl)methanamine?
(3,5-difluoro-2,4-dimethylphenyl)methanamine has a molecular weight of 171.19 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-2,4-dimethylphenyl)methanamine is sourced from PubChem (CID 84765917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).