N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine

C17H22ClNO — CID 106861060

IUPACN-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)o1)c1ccc(C)cc1Cl
InChIInChI=1S/C17H22ClNO/c1-4-10-19-17(16-9-7-13(5-2)20-16)14-8-6-12(3)11-15(14)18/h6-9,11,17,19H,4-5,10H2,1-3H3
InChIKeyCJLIBTJNOWYFSX-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.89
Rot. Bonds6

About N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine

N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine (PubChem CID 106861060) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
PubChem CID106861060
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC NameN-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)o1)c1ccc(C)cc1Cl
InChIInChI=1S/C17H22ClNO/c1-4-10-19-17(16-9-7-13(5-2)20-16)14-8-6-12(3)11-15(14)18/h6-9,11,17,19H,4-5,10H2,1-3H3
InChIKeyCJLIBTJNOWYFSX-UHFFFAOYSA-N
XLogP4.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-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

N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 106861045
N-[2-(2-chloro-4-methylphenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine
CID 106867205
N-[(2,4-difluorophenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 62345873
N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 106684288
N-[(2-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106857492
N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 106857172
N-[(2-chloro-4-methylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 106858921
N-[(2-chloro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106857639
N-[(2,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496101
N-[(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496133
N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 81156942
N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63210049

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine (CID 106861060) is N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(CC)o1)c1ccc(C)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is CJLIBTJNOWYFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-4-10-19-17(16-9-7-13(5-2)20-16)14-8-6-12(3)11-15(14)18/h6-9,11,17,19H,4-5,10H2,1-3H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine?
N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 291.82 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106861060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).