1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine

C14H15ClFNO — CID 62633284

IUPAC1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C14H15ClFNO/c1-3-12(17-2)14-7-6-13(18-14)9-4-5-10(15)11(16)8-9/h4-8,12,17H,3H2,1-2H3
InChIKeyKELBBEKVKJPKSM-UHFFFAOYSA-N
MW267.73 g/mol
LogP4.41
Rot. Bonds4

About 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine

1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine (PubChem CID 62633284) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
PubChem CID62633284
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C14H15ClFNO/c1-3-12(17-2)14-7-6-13(18-14)9-4-5-10(15)11(16)8-9/h4-8,12,17H,3H2,1-2H3
InChIKeyKELBBEKVKJPKSM-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 107577112
1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine
CID 62632916
1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 62633115
1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine
CID 114257852
1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 55097922
1-[5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylpropan-1-amine
CID 114025397
1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 107994722
1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 107994677
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 116690943
1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone
CID 62500513
1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine
CID 55118751
1-[5-(4-bromo-3-methylphenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398685

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine (CID 62633284) is 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine is CCC(NC)c1ccc(-c2ccc(Cl)c(F)c2)o1.
What is the InChIKey of 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine?
The InChIKey is KELBBEKVKJPKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO/c1-3-12(17-2)14-7-6-13(18-14)9-4-5-10(15)11(16)8-9/h4-8,12,17H,3H2,1-2H3.
What are the key properties of 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine?
1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine has a molecular weight of 267.73 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 62633284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).