1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine

C18H24BrNO — CID 105156231

IUPAC1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCCC(C(NC)c2cc3cccc(Br)c3o2)C1
InChIInChI=1S/C18H24BrNO/c1-3-12-6-4-7-13(10-12)17(20-2)16-11-14-8-5-9-15(19)18(14)21-16/h5,8-9,11-13,17,20H,3-4,6-7,10H2,1-2H3
InChIKeyONWMIEGBEQXLJD-UHFFFAOYSA-N
MW350.30 g/mol
LogP5.67
Rot. Bonds4

About 1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine

1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine (PubChem CID 105156231) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
PubChem CID105156231
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCCC(C(NC)c2cc3cccc(Br)c3o2)C1
InChIInChI=1S/C18H24BrNO/c1-3-12-6-4-7-13(10-12)17(20-2)16-11-14-8-5-9-15(19)18(14)21-16/h5,8-9,11-13,17,20H,3-4,6-7,10H2,1-2H3
InChIKeyONWMIEGBEQXLJD-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

1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine
CID 105151800
1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105139091
N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine
CID 105081278
N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 105153854
1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114729233
1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 104992251
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine
CID 114729277
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138802
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine
CID 114729155
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864
1-(2,3-dihydrofuran-5-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 102651699

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine (CID 105156231) is 1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine is CCC1CCCC(C(NC)c2cc3cccc(Br)c3o2)C1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine?
The InChIKey is ONWMIEGBEQXLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c1-3-12-6-4-7-13(10-12)17(20-2)16-11-14-8-5-9-15(19)18(14)21-16/h5,8-9,11-13,17,20H,3-4,6-7,10H2,1-2H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine?
1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine 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 1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 105156231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).