N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine

C14H16ClNO — CID 106691457

IUPACN-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1ccc(Cl)o1
InChIInChI=1S/C14H16ClNO/c1-3-16-14(12-7-8-13(15)17-12)11-6-4-5-10(2)9-11/h4-9,14,16H,3H2,1-2H3
InChIKeyVSOKANKEKHBREK-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.94
Rot. Bonds4

About N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine

N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine (PubChem CID 106691457) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
PubChem CID106691457
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC NameN-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1ccc(Cl)o1
InChIInChI=1S/C14H16ClNO/c1-3-16-14(12-7-8-13(15)17-12)11-6-4-5-10(2)9-11/h4-9,14,16H,3H2,1-2H3
InChIKeyVSOKANKEKHBREK-UHFFFAOYSA-N
XLogP3.94
TPSA25.17 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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-chlorofuran-2-yl)-(3-methylphenyl)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-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 106692823
N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine
CID 106693362
N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine
CID 106684213
N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 106684341
N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 115790238
N-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 115567422
N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43489695
N-[(5-chlorofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 106692001
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470
N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43488776
N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 114727898
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine (CID 106691457) is N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)c1ccc(Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine?
The InChIKey is VSOKANKEKHBREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-3-16-14(12-7-8-13(15)17-12)11-6-4-5-10(2)9-11/h4-9,14,16H,3H2,1-2H3.
What are the key properties of N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine?
N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine has a molecular weight of 249.74 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 106691457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).