1-(2,3-difluorophenyl)-2-methylpentan-3-amine

C12H17F2N — CID 63561895

IUPAC1-(2,3-difluorophenyl)-2-methylpentan-3-amine
SMILESCCC(N)C(C)Cc1cccc(F)c1F
InChIInChI=1S/C12H17F2N/c1-3-11(15)8(2)7-9-5-4-6-10(13)12(9)14/h4-6,8,11H,3,7,15H2,1-2H3
InChIKeyKOVNSOSDDVVNBR-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.88
Rot. Bonds4

About 1-(2,3-difluorophenyl)-2-methylpentan-3-amine

1-(2,3-difluorophenyl)-2-methylpentan-3-amine (PubChem CID 63561895) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-2-methylpentan-3-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-2-methylpentan-3-amine
PubChem CID63561895
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1-(2,3-difluorophenyl)-2-methylpentan-3-amine
SMILESCCC(N)C(C)Cc1cccc(F)c1F
InChIInChI=1S/C12H17F2N/c1-3-11(15)8(2)7-9-5-4-6-10(13)12(9)14/h4-6,8,11H,3,7,15H2,1-2H3
InChIKeyKOVNSOSDDVVNBR-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-difluorophenyl)-2-methylpentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-difluorophenyl)pentan-2-amine
CID 62601447
3-(2,3-difluorophenyl)-1,1-dimethoxypropan-2-amine
CID 79493337
1-[2-(chloromethyl)butyl]-2,3-difluorobenzene
CID 66036130
1-(2,3-difluorophenyl)-4-methylpentan-3-amine
CID 43659052
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
(2R)-4-(2,3-difluorophenyl)butan-2-amine
CID 93318671
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
CID 104845522
1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602325
2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 62516240
2-(2,3-difluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503218

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-2-methylpentan-3-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-2-methylpentan-3-amine (CID 63561895) is 1-(2,3-difluorophenyl)-2-methylpentan-3-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-2-methylpentan-3-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-2-methylpentan-3-amine is CCC(N)C(C)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-2-methylpentan-3-amine?
The InChIKey is KOVNSOSDDVVNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-11(15)8(2)7-9-5-4-6-10(13)12(9)14/h4-6,8,11H,3,7,15H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-2-methylpentan-3-amine?
1-(2,3-difluorophenyl)-2-methylpentan-3-amine has a molecular weight of 213.27 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-2-methylpentan-3-amine is sourced from PubChem (CID 63561895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).