N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine

C18H24BrNO — CID 105153854

IUPACN-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(Br)c2o1)C1CCC(C)CC1
InChIInChI=1S/C18H24BrNO/c1-3-20-17(13-9-7-12(2)8-10-13)16-11-14-5-4-6-15(19)18(14)21-16/h4-6,11-13,17,20H,3,7-10H2,1-2H3
InChIKeyBVSAXVVNKDDJDI-UHFFFAOYSA-N
MW350.30 g/mol
LogP5.67
Rot. Bonds4

About N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine

N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 105153854) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
PubChem CID105153854
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC NameN-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(Br)c2o1)C1CCC(C)CC1
InChIInChI=1S/C18H24BrNO/c1-3-20-17(13-9-7-12(2)8-10-13)16-11-14-5-4-6-15(19)18(14)21-16/h4-6,11-13,17,20H,3,7-10H2,1-2H3
InChIKeyBVSAXVVNKDDJDI-UHFFFAOYSA-N
XLogP5.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.30
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine
CID 105081278
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138802
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114728259
N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine
CID 65441182
1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 105156231
N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114727995
N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine
CID 114730295
1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine
CID 105149223
1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105139091
1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine
CID 105151800
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862

Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine (CID 105153854) is N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine is CCNC(c1cc2cccc(Br)c2o1)C1CCC(C)CC1.
What is the InChIKey of N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is BVSAXVVNKDDJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c1-3-20-17(13-9-7-12(2)8-10-13)16-11-14-5-4-6-15(19)18(14)21-16/h4-6,11-13,17,20H,3,7-10H2,1-2H3.
What are the key properties of N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine?
N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 350.30 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 105153854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).