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

C10H13F2N — CID 82075197

IUPAC2-(3,4-difluorophenyl)butan-1-amine
SMILESCCC(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2N/c1-2-7(6-13)8-3-4-9(11)10(12)5-8/h3-5,7H,2,6,13H2,1H3
InChIKeyDRDQWWMAIFSVMN-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.42
Rot. Bonds3

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

2-(3,4-difluorophenyl)butan-1-amine (PubChem CID 82075197) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)butan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)butan-1-amine
PubChem CID82075197
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name2-(3,4-difluorophenyl)butan-1-amine
SMILESCCC(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2N/c1-2-7(6-13)8-3-4-9(11)10(12)5-8/h3-5,7H,2,6,13H2,1H3
InChIKeyDRDQWWMAIFSVMN-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

4-decan-3-yl-1,2-difluorobenzene
CID 129157108
3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973688
2-(3,4-difluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83973724
1,2-difluoro-4-(1-iodopropyl)benzene
CID 70110065
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
CID 83973702
2-[1-(3,4-difluorophenyl)ethoxy]ethanamine
CID 82282338
6-(3,4-difluorophenyl)octan-3-one
CID 83936173
2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973740
2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine
CID 117320877
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)butan-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)butan-1-amine (CID 82075197) is 2-(3,4-difluorophenyl)butan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)butan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)butan-1-amine is CCC(CN)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)butan-1-amine?
The InChIKey is DRDQWWMAIFSVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-2-7(6-13)8-3-4-9(11)10(12)5-8/h3-5,7H,2,6,13H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)butan-1-amine?
2-(3,4-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-(3,4-difluorophenyl)butan-1-amine is sourced from PubChem (CID 82075197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).