N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine

C17H22BrNO — CID 105081278

IUPACN-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine
SMILESCCCNC(c1cc2cccc(Br)c2o1)C1CCCC1
InChIInChI=1S/C17H22BrNO/c1-2-10-19-16(12-6-3-4-7-12)15-11-13-8-5-9-14(18)17(13)20-15/h5,8-9,11-12,16,19H,2-4,6-7,10H2,1H3
InChIKeyDQUNIXVJFVWDEZ-UHFFFAOYSA-N
MW336.27 g/mol
LogP5.43
Rot. Bonds5

About N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine

N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine (PubChem CID 105081278) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine
PubChem CID105081278
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC NameN-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine
SMILESCCCNC(c1cc2cccc(Br)c2o1)C1CCCC1
InChIInChI=1S/C17H22BrNO/c1-2-10-19-16(12-6-3-4-7-12)15-11-13-8-5-9-14(18)17(13)20-15/h5,8-9,11-12,16,19H,2-4,6-7,10H2,1H3
InChIKeyDQUNIXVJFVWDEZ-UHFFFAOYSA-N
XLogP5.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

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

Analyze N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine with MolForge

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Related Compounds

N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114727995
N-[(7-bromo-1-benzofuran-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 105153854
1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 105156231
N-[3-bicyclo[3.1.0]hexanyl-(7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045439
1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105139091
N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
CID 65438724
N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981055
1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine
CID 105177238
1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine
CID 105151800
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138802
N-[(7-chloro-1-benzofuran-2-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 114729105
N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 105045696

Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine?
The IUPAC name of N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine (CID 105081278) is N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine.
What is the SMILES notation for N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine?
The canonical SMILES for N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine is CCCNC(c1cc2cccc(Br)c2o1)C1CCCC1.
What is the InChIKey of N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine?
The InChIKey is DQUNIXVJFVWDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO/c1-2-10-19-16(12-6-3-4-7-12)15-11-13-8-5-9-14(18)17(13)20-15/h5,8-9,11-12,16,19H,2-4,6-7,10H2,1H3.
What are the key properties of N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine?
N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine has a molecular weight of 336.27 g/mol, XLogP of 5.43, 5 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)-cyclopentylmethyl]propan-1-amine is sourced from PubChem (CID 105081278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).