1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine

C13H13F2NO — CID 105030036

IUPAC1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine
SMILESNC(Cc1ccoc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H13F2NO/c14-12-2-1-9(7-13(12)15)5-11(16)6-10-3-4-17-8-10/h1-4,7-8,11H,5-6,16H2
InChIKeyHHSAVVHUQMQISG-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.67
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine

1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine (PubChem CID 105030036) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine
PubChem CID105030036
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine
SMILESNC(Cc1ccoc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H13F2NO/c14-12-2-1-9(7-13(12)15)5-11(16)6-10-3-4-17-8-10/h1-4,7-8,11H,5-6,16H2
InChIKeyHHSAVVHUQMQISG-UHFFFAOYSA-N
XLogP2.67
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105030125
1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 105051169
1-(4-bromo-2,6-difluorophenyl)-2-(furan-3-yl)ethanamine
CID 105030226
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine
CID 83183260
1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 115843232
1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
CID 115802634
1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 105032555
1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine
CID 116661188
1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030412
1-(3-bromo-4-methoxyphenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 115818090
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine
CID 104998510
1-(3,4-difluorophenyl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002128

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine (CID 105030036) is 1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine is NC(Cc1ccoc1)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine?
The InChIKey is HHSAVVHUQMQISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c14-12-2-1-9(7-13(12)15)5-11(16)6-10-3-4-17-8-10/h1-4,7-8,11H,5-6,16H2.
What are the key properties of 1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine?
1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine has a molecular weight of 237.25 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(furan-3-yl)propan-2-amine is sourced from PubChem (CID 105030036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).