N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine

C14H16BrNO — CID 114819976

IUPACN-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1coc(C)c1
InChIInChI=1S/C14H16BrNO/c1-3-16-14(12-8-10(2)17-9-12)11-4-6-13(15)7-5-11/h4-9,14,16H,3H2,1-2H3
InChIKeyNDEYNBQPWWMZOV-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.05
Rot. Bonds4

About N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine

N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine (PubChem CID 114819976) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
PubChem CID114819976
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC NameN-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1coc(C)c1
InChIInChI=1S/C14H16BrNO/c1-3-16-14(12-8-10(2)17-9-12)11-4-6-13(15)7-5-11/h4-9,14,16H,3H2,1-2H3
InChIKeyNDEYNBQPWWMZOV-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-[(4-bromophenyl)-(5-methylfuran-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-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine
CID 114819986
N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 115790238
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820177
N-[(2,5-dibromo-4-methylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820382
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704190
N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492153
N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820182
N-[(7-chloro-1-benzofuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105048573
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820033
N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 115828096
6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 114820019
N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488443

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine (CID 114819976) is N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine is CCNC(c1ccc(Br)cc1)c1coc(C)c1.
What is the InChIKey of N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine?
The InChIKey is NDEYNBQPWWMZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-3-16-14(12-8-10(2)17-9-12)11-4-6-13(15)7-5-11/h4-9,14,16H,3H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine?
N-[(4-bromophenyl)-(5-methylfuran-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-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 114819976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).