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

C14H16ClNO — CID 82542677

IUPAC3-[5-(3-chlorophenyl)furan-2-yl]butan-1-amine
SMILESCC(CCN)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C14H16ClNO/c1-10(7-8-16)13-5-6-14(17-13)11-3-2-4-12(15)9-11/h2-6,9-10H,7-8,16H2,1H3
InChIKeyLMGTUERIKJQHPM-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.05
Rot. Bonds4

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

3-[5-(3-chlorophenyl)furan-2-yl]butan-1-amine (PubChem CID 82542677) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 3-[5-(3-chlorophenyl)furan-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-[5-(3-chlorophenyl)furan-2-yl]butan-1-amine
PubChem CID82542677
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name3-[5-(3-chlorophenyl)furan-2-yl]butan-1-amine
SMILESCC(CCN)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C14H16ClNO/c1-10(7-8-16)13-5-6-14(17-13)11-3-2-4-12(15)9-11/h2-6,9-10H,7-8,16H2,1H3
InChIKeyLMGTUERIKJQHPM-UHFFFAOYSA-N
XLogP4.05
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine
CID 82542304
3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine
CID 82542294
3-[5-(3-chloro-2-methylphenyl)furan-2-yl]butan-1-amine
CID 82542459
3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine
CID 82542289
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 7380206
2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan
CID 101452780
3-[5-(2-methoxyphenyl)furan-2-yl]butan-1-amine
CID 82542723
(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622797
(2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 95003401
[(1R)-1-(1-adamantyl)ethyl]-[[5-(3-chlorophenyl)furan-2-yl]methyl]azanium
CID 8622776
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chlorophenyl)furan-2-yl]butan-1-amine?
The IUPAC name of 3-[5-(3-chlorophenyl)furan-2-yl]butan-1-amine (CID 82542677) is 3-[5-(3-chlorophenyl)furan-2-yl]butan-1-amine.
What is the SMILES notation for 3-[5-(3-chlorophenyl)furan-2-yl]butan-1-amine?
The canonical SMILES for 3-[5-(3-chlorophenyl)furan-2-yl]butan-1-amine is CC(CCN)c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 3-[5-(3-chlorophenyl)furan-2-yl]butan-1-amine?
The InChIKey is LMGTUERIKJQHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-10(7-8-16)13-5-6-14(17-13)11-3-2-4-12(15)9-11/h2-6,9-10H,7-8,16H2,1H3.
What are the key properties of 3-[5-(3-chlorophenyl)furan-2-yl]butan-1-amine?
3-[5-(3-chlorophenyl)furan-2-yl]butan-1-amine has a molecular weight of 249.74 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chlorophenyl)furan-2-yl]butan-1-amine is sourced from PubChem (CID 82542677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).