N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine

C14H15ClFNO — CID 81454466

IUPACN-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)o1)c1cccc(F)c1Cl
InChIInChI=1S/C14H15ClFNO/c1-3-17-14(12-8-7-9(2)18-12)10-5-4-6-11(16)13(10)15/h4-8,14,17H,3H2,1-2H3
InChIKeyHQTGMEKOHIOBSC-UHFFFAOYSA-N
MW267.73 g/mol
LogP4.08
Rot. Bonds4

About N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine

N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 81454466) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID81454466
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC NameN-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)o1)c1cccc(F)c1Cl
InChIInChI=1S/C14H15ClFNO/c1-3-17-14(12-8-7-9(2)18-12)10-5-4-6-11(16)13(10)15/h4-8,14,17H,3H2,1-2H3
InChIKeyHQTGMEKOHIOBSC-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine 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

N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827914
N-[(2-chloro-3-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859759
N-[(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 115801146
N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81454708
N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 82883211
N-[(2-fluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 81477002
N-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 81454945
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 65299395
N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 81265394
N-[(2-chloro-4,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 107476667
N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81454359
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029261

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine (CID 81454466) is N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine is CCNC(c1ccc(C)o1)c1cccc(F)c1Cl.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is HQTGMEKOHIOBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO/c1-3-17-14(12-8-7-9(2)18-12)10-5-4-6-11(16)13(10)15/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 267.73 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 81454466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).