1-(2,3-difluorophenyl)-4-methylpentan-3-amine

C12H17F2N — CID 43659052

IUPAC1-(2,3-difluorophenyl)-4-methylpentan-3-amine
SMILESCC(C)C(N)CCc1cccc(F)c1F
InChIInChI=1S/C12H17F2N/c1-8(2)11(15)7-6-9-4-3-5-10(13)12(9)14/h3-5,8,11H,6-7,15H2,1-2H3
InChIKeyWFCGVFXXSMFXTN-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.88
Rot. Bonds4

About 1-(2,3-difluorophenyl)-4-methylpentan-3-amine

1-(2,3-difluorophenyl)-4-methylpentan-3-amine (PubChem CID 43659052) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-4-methylpentan-3-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-4-methylpentan-3-amine
PubChem CID43659052
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1-(2,3-difluorophenyl)-4-methylpentan-3-amine
SMILESCC(C)C(N)CCc1cccc(F)c1F
InChIInChI=1S/C12H17F2N/c1-8(2)11(15)7-6-9-4-3-5-10(13)12(9)14/h3-5,8,11H,6-7,15H2,1-2H3
InChIKeyWFCGVFXXSMFXTN-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

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Related Compounds

(2R)-4-(2,3-difluorophenyl)butan-2-amine
CID 93318671
4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine
CID 117046777
6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine
CID 112654544
4-methyl-1-naphthalen-1-ylpentan-3-amine
CID 43370560
4-methyl-1-(2-methylphenyl)pentan-3-amine
CID 43175902
1-(4-chloropentyl)-2,3-difluorobenzene
CID 64516100
1-(2,3-difluorophenyl)-2-methylpentan-3-amine
CID 63561895
3-amino-1-(2,3-difluorophenyl)-4-methylpentan-2-one
CID 116549114
1-(2,3-difluorophenyl)pentan-2-amine
CID 62601447
(2,3-difluorophenyl)methanamine
CID 2736941
5-amino-1-(2,3-difluorophenyl)hexan-2-one
CID 116571825
3-(2,3-difluorophenyl)-1,1-dimethoxypropan-2-amine
CID 79493337

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-4-methylpentan-3-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-4-methylpentan-3-amine (CID 43659052) is 1-(2,3-difluorophenyl)-4-methylpentan-3-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-4-methylpentan-3-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-4-methylpentan-3-amine is CC(C)C(N)CCc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-4-methylpentan-3-amine?
The InChIKey is WFCGVFXXSMFXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-8(2)11(15)7-6-9-4-3-5-10(13)12(9)14/h3-5,8,11H,6-7,15H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-4-methylpentan-3-amine?
1-(2,3-difluorophenyl)-4-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)-4-methylpentan-3-amine is sourced from PubChem (CID 43659052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).