3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine

C13H14ClNO — CID 170878490

IUPAC3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine
SMILESNCCCc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C13H14ClNO/c14-12-6-2-1-5-11(12)13-8-7-10(16-13)4-3-9-15/h1-2,5-8H,3-4,9,15H2
InChIKeyBBBMWIODMOXVGI-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.49
Rot. Bonds4

About 3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine

3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine (PubChem CID 170878490) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine
PubChem CID170878490
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine
SMILESNCCCc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C13H14ClNO/c14-12-6-2-1-5-11(12)13-8-7-10(16-13)4-3-9-15/h1-2,5-8H,3-4,9,15H2
InChIKeyBBBMWIODMOXVGI-UHFFFAOYSA-N
XLogP3.49
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-[5-[5-(3-aminopropyl)furan-2-yl]furan-2-yl]furan-2-yl]propan-1-amine
CID 170868210
[5-(2-chlorophenyl)furan-2-yl]methanol
CID 4796268
3-[5-(2-nitrophenyl)furan-2-yl]propan-1-amine
CID 170878491
2-[5-(2-fluorophenyl)furan-2-yl]ethanamine
CID 54775832
1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
2-[5-(2-bromophenyl)furan-2-yl]ethanamine
CID 170869026
2-[[5-(3-aminopropyl)furan-2-yl]methyl]isoindole-1,3-dione
CID 170878360
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 6471479
3-[5-(2,4-dichlorophenyl)furan-2-yl]propan-1-ol
CID 170887541
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 6473076
3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine
CID 170878277
[5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium
CID 7450449

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine (CID 170878490) is 3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine is NCCCc1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine?
The InChIKey is BBBMWIODMOXVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c14-12-6-2-1-5-11(12)13-8-7-10(16-13)4-3-9-15/h1-2,5-8H,3-4,9,15H2.
What are the key properties of 3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine?
3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine has a molecular weight of 235.71 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine is sourced from PubChem (CID 170878490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).