1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine

C17H22BrNO — CID 43371437

IUPAC1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine
SMILESCC(NCC1CCCCC1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C17H22BrNO/c1-12(19-11-13-5-3-2-4-6-13)17-10-14-9-15(18)7-8-16(14)20-17/h7-10,12-13,19H,2-6,11H2,1H3
InChIKeyVNZMZXQDBYPOBJ-UHFFFAOYSA-N
MW336.27 g/mol
LogP5.43
Rot. Bonds4

About 1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine

1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine (PubChem CID 43371437) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is 1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine
PubChem CID43371437
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC Name1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine
SMILESCC(NCC1CCCCC1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C17H22BrNO/c1-12(19-11-13-5-3-2-4-6-13)17-10-14-9-15(18)7-8-16(14)20-17/h7-10,12-13,19H,2-6,11H2,1H3
InChIKeyVNZMZXQDBYPOBJ-UHFFFAOYSA-N
XLogP5.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.27
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2-ethylcyclohexan-1-amine
CID 43709405
1-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43104320
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,2-diethoxyethanamine
CID 79538274
1-(5-bromo-1-benzofuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62055857
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781569
2-bromo-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 113464991
3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol
CID 65036942
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811
1-(5-bromo-2-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82962734
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83009310
N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 43244143

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine?
The IUPAC name of 1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine (CID 43371437) is 1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine?
The canonical SMILES for 1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine is CC(NCC1CCCCC1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine?
The InChIKey is VNZMZXQDBYPOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO/c1-12(19-11-13-5-3-2-4-6-13)17-10-14-9-15(18)7-8-16(14)20-17/h7-10,12-13,19H,2-6,11H2,1H3.
What are the key properties of 1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine?
1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine has a molecular weight of 336.27 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine is sourced from PubChem (CID 43371437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).