N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine

C14H16BrNO — CID 115855493

IUPACN-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1ccc(C)cc1Br
InChIInChI=1S/C14H16BrNO/c1-3-16-14(11-6-7-17-9-11)12-5-4-10(2)8-13(12)15/h4-9,14,16H,3H2,1-2H3
InChIKeyGNROXKRGJKBZJE-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.05
Rot. Bonds4

About N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine

N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine (PubChem CID 115855493) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine
PubChem CID115855493
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC NameN-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1ccc(C)cc1Br
InChIInChI=1S/C14H16BrNO/c1-3-16-14(11-6-7-17-9-11)12-5-4-10(2)8-13(12)15/h4-9,14,16H,3H2,1-2H3
InChIKeyGNROXKRGJKBZJE-UHFFFAOYSA-N
XLogP4.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromo-4-methylphenyl)-(furan-3-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-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796773
N-[(2-bromo-3,4-difluorophenyl)-(furan-3-yl)methyl]ethanamine
CID 107539344
N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050326
N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302725
N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 115852716
N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 60787122
N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488095
N-[(2-bromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851889
N-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796785
N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104639
N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine
CID 115855553
N-[(2-bromo-4-methylphenyl)-(2-chloro-4,5-difluorophenyl)methyl]ethanamine
CID 107476402

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine (CID 115855493) is N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine is CCNC(c1ccoc1)c1ccc(C)cc1Br.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine?
The InChIKey is GNROXKRGJKBZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-3-16-14(11-6-7-17-9-11)12-5-4-10(2)8-13(12)15/h4-9,14,16H,3H2,1-2H3.
What are the key properties of N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine?
N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine has a molecular weight of 294.19 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine is sourced from PubChem (CID 115855493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).