N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine

C15H24BrNO — CID 104989489

IUPACN-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)o1)C1CCC(C)C(C)C1
InChIInChI=1S/C15H24BrNO/c1-4-17-15(13-7-8-14(16)18-13)12-6-5-10(2)11(3)9-12/h7-8,10-12,15,17H,4-6,9H2,1-3H3
InChIKeyOMSOJRJLTIUXKS-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.76
Rot. Bonds4

About N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine

N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine (PubChem CID 104989489) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
PubChem CID104989489
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC NameN-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)o1)C1CCC(C)C(C)C1
InChIInChI=1S/C15H24BrNO/c1-4-17-15(13-7-8-14(16)18-13)12-6-5-10(2)11(3)9-12/h7-8,10-12,15,17H,4-6,9H2,1-3H3
InChIKeyOMSOJRJLTIUXKS-UHFFFAOYSA-N
XLogP4.76
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)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-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126566
N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 64739441
N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
CID 64738432
N-[(2-bromo-3,4-difluorophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 107539367
N-[(2-bromo-5-methoxyphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 105154411
N-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 104989303
N-[(3,4-dimethylcyclohexyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 104989415
N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195505
N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 105009872
N-[furan-2-yl-(3-methylcyclopentyl)methyl]ethanamine
CID 65413778
N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007431
N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64740428

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine (CID 104989489) is N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine is CCNC(c1ccc(Br)o1)C1CCC(C)C(C)C1.
What is the InChIKey of N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine?
The InChIKey is OMSOJRJLTIUXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-4-17-15(13-7-8-14(16)18-13)12-6-5-10(2)11(3)9-12/h7-8,10-12,15,17H,4-6,9H2,1-3H3.
What are the key properties of N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine?
N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine has a molecular weight of 314.27 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 104989489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).