1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine

C14H15ClFNO — CID 83176029

IUPAC1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccco1)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFNO/c1-17-10(8-11-4-3-7-18-11)9-12-13(15)5-2-6-14(12)16/h2-7,10,17H,8-9H2,1H3
InChIKeyJHWVPUKIXNEMBH-UHFFFAOYSA-N
MW267.73 g/mol
LogP3.45
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine

1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine (PubChem CID 83176029) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine
PubChem CID83176029
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccco1)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFNO/c1-17-10(8-11-4-3-7-18-11)9-12-13(15)5-2-6-14(12)16/h2-7,10,17H,8-9H2,1H3
InChIKeyJHWVPUKIXNEMBH-UHFFFAOYSA-N
XLogP3.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 61080026
1-fluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 129254297
4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291231
1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine
CID 63022661
1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
CID 115983713
1-(furan-2-yl)-N-methyl-3-phenylpropan-2-amine
CID 83175691
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
CID 105106068
4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine
CID 83175606
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
[1-(2-chloro-6-fluorophenyl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213730
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103031231

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine (CID 83176029) is 1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine is CNC(Cc1ccco1)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine?
The InChIKey is JHWVPUKIXNEMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO/c1-17-10(8-11-4-3-7-18-11)9-12-13(15)5-2-6-14(12)16/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine?
1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine has a molecular weight of 267.73 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 83176029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).