(1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine

C10H14F2N2 — CID 131057437

IUPAC(1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine
SMILESCc1ccc([C@H](N)CCN)c(F)c1F
InChIInChI=1S/C10H14F2N2/c1-6-2-3-7(8(14)4-5-13)10(12)9(6)11/h2-3,8H,4-5,13-14H2,1H3/t8-/m1/s1
InChIKeyRKGPYENGQNTFHO-MRVPVSSYSA-N
MW200.23 g/mol
LogP1.62
Rot. Bonds3

About (1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine

(1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine (PubChem CID 131057437) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is (1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name(1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine
PubChem CID131057437
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name(1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine
SMILESCc1ccc([C@H](N)CCN)c(F)c1F
InChIInChI=1S/C10H14F2N2/c1-6-2-3-7(8(14)4-5-13)10(12)9(6)11/h2-3,8H,4-5,13-14H2,1H3/t8-/m1/s1
InChIKeyRKGPYENGQNTFHO-MRVPVSSYSA-N
XLogP1.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine 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

3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine
CID 107514810
(1S)-1-(2,3-difluoro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131304116
1-(2,3-difluoro-4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 107513932
(1S)-3-fluoro-1-(2,3,4-trifluorophenyl)propan-1-amine;hydrochloride
CID 171225366
(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 131568971
(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
(1S)-1-(2-fluoro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221484
2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515309
1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 107513293
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
methyl (3R)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate
CID 171249752
methyl (3S)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate
CID 171243019

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine?
The IUPAC name of (1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine (CID 131057437) is (1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for (1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for (1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine is Cc1ccc([C@H](N)CCN)c(F)c1F.
What is the InChIKey of (1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine?
The InChIKey is RKGPYENGQNTFHO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-6-2-3-7(8(14)4-5-13)10(12)9(6)11/h2-3,8H,4-5,13-14H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine?
(1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine has a molecular weight of 200.23 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 131057437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).