1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine

C11H15F2N — CID 43197752

IUPAC1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2N/c1-11(2,3)10(14)8-5-4-7(12)6-9(8)13/h4-6,10H,14H2,1-3H3
InChIKeyOJOBBVRPQDBLPE-UHFFFAOYSA-N
MW199.24 g/mol
LogP3.01
Rot. Bonds1

About 1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine

1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 43197752) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
PubChem CID43197752
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2N/c1-11(2,3)10(14)8-5-4-7(12)6-9(8)13/h4-6,10H,14H2,1-3H3
InChIKeyOJOBBVRPQDBLPE-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-3-(2,4-difluorophenyl)-2,2-dimethylpropanenitrile
CID 116940397
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 171248868
(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242678
1-(2,4-difluorophenyl)propane-1,2-diamine
CID 20546527
(1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine
CID 130900597
(2,4-difluorophenyl)methanediamine
CID 116939170
(1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine
CID 131505705
(1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride
CID 171248131
methyl (3S)-3-amino-3-(2,4-difluorophenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171239168
(1S,3S)-3-amino-1-(2,4-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 171237054
(1S)-1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241429
(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine
CID 28973274

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine (CID 43197752) is 1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is OJOBBVRPQDBLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-11(2,3)10(14)8-5-4-7(12)6-9(8)13/h4-6,10H,14H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine?
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 43197752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).