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

C10H13F2N — CID 130760393

IUPAC2-(2,3-difluorophenyl)butan-1-amine
SMILESCCC(CN)c1cccc(F)c1F
InChIInChI=1S/C10H13F2N/c1-2-7(6-13)8-4-3-5-9(11)10(8)12/h3-5,7H,2,6,13H2,1H3
InChIKeyMTZLBRFNLXMHMZ-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.42
Rot. Bonds3

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

2-(2,3-difluorophenyl)butan-1-amine (PubChem CID 130760393) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)butan-1-amine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)butan-1-amine
PubChem CID130760393
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name2-(2,3-difluorophenyl)butan-1-amine
SMILESCCC(CN)c1cccc(F)c1F
InChIInChI=1S/C10H13F2N/c1-2-7(6-13)8-4-3-5-9(11)10(8)12/h3-5,7H,2,6,13H2,1H3
InChIKeyMTZLBRFNLXMHMZ-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine
CID 20546582
4-(2,3-difluorophenyl)hexane-1,2-diol
CID 83925548
methyl 4-amino-3-(2,3-difluorophenyl)butanoate
CID 66096205
(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
1,3-difluoro-2-pentan-3-ylbenzene
CID 123525738
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137
(4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine
CID 62648688
1,2-difluoro-3-hept-1-yn-4-ylbenzene
CID 83925513
1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine
CID 171164114
diethyl 2-(2,3-difluorophenyl)propanedioate
CID 63990453
(1R)-1-(2,3-difluorophenyl)butane-1,4-diamine
CID 171204126
2-(2-fluorophenyl)-4-methylpentan-1-amine
CID 79001901

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)butan-1-amine?
The IUPAC name of 2-(2,3-difluorophenyl)butan-1-amine (CID 130760393) is 2-(2,3-difluorophenyl)butan-1-amine.
What is the SMILES notation for 2-(2,3-difluorophenyl)butan-1-amine?
The canonical SMILES for 2-(2,3-difluorophenyl)butan-1-amine is CCC(CN)c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)butan-1-amine?
The InChIKey is MTZLBRFNLXMHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-2-7(6-13)8-4-3-5-9(11)10(8)12/h3-5,7H,2,6,13H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)butan-1-amine?
2-(2,3-difluorophenyl)butan-1-amine has a molecular weight of 185.22 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)butan-1-amine is sourced from PubChem (CID 130760393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).