2,2-difluoro-4-(3-methylphenyl)butan-1-amine

C11H15F2N — CID 118527282

IUPAC2,2-difluoro-4-(3-methylphenyl)butan-1-amine
SMILESCc1cccc(CCC(F)(F)CN)c1
InChIInChI=1S/C11H15F2N/c1-9-3-2-4-10(7-9)5-6-11(12,13)8-14/h2-4,7H,5-6,8,14H2,1H3
InChIKeyFHTDDNKPQMWMMX-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.52
Rot. Bonds4

About 2,2-difluoro-4-(3-methylphenyl)butan-1-amine

2,2-difluoro-4-(3-methylphenyl)butan-1-amine (PubChem CID 118527282) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 2,2-difluoro-4-(3-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-4-(3-methylphenyl)butan-1-amine
PubChem CID118527282
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name2,2-difluoro-4-(3-methylphenyl)butan-1-amine
SMILESCc1cccc(CCC(F)(F)CN)c1
InChIInChI=1S/C11H15F2N/c1-9-3-2-4-10(7-9)5-6-11(12,13)8-14/h2-4,7H,5-6,8,14H2,1H3
InChIKeyFHTDDNKPQMWMMX-UHFFFAOYSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine
CID 66581986
1-(3,3-difluorobutyl)-3-methylbenzene
CID 169204430
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
3-(3-methylphenyl)propan-1-amine
CID 12666388
1-[[3-(3,3-dimethylbutyl)phenyl]methyl]-3-[(3-methylphenyl)methyl]benzene
CID 140940309
3,3,3-trifluoro-N-[2-(3-methylphenyl)ethyl]propan-1-amine
CID 64554820
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
2,2-dimethyl-4-(3-methylphenyl)butanoic acid
CID 69050886
2-(3-methylphenyl)ethanolate
CID 142208639
2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62312850

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-(3-methylphenyl)butan-1-amine?
The IUPAC name of 2,2-difluoro-4-(3-methylphenyl)butan-1-amine (CID 118527282) is 2,2-difluoro-4-(3-methylphenyl)butan-1-amine.
What is the SMILES notation for 2,2-difluoro-4-(3-methylphenyl)butan-1-amine?
The canonical SMILES for 2,2-difluoro-4-(3-methylphenyl)butan-1-amine is Cc1cccc(CCC(F)(F)CN)c1.
What is the InChIKey of 2,2-difluoro-4-(3-methylphenyl)butan-1-amine?
The InChIKey is FHTDDNKPQMWMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-9-3-2-4-10(7-9)5-6-11(12,13)8-14/h2-4,7H,5-6,8,14H2,1H3.
What are the key properties of 2,2-difluoro-4-(3-methylphenyl)butan-1-amine?
2,2-difluoro-4-(3-methylphenyl)butan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-(3-methylphenyl)butan-1-amine is sourced from PubChem (CID 118527282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).