1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine

C16H20ClNO — CID 105048647

IUPAC1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
SMILESCNC(CC1CCCC1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H20ClNO/c1-18-14(9-11-5-2-3-6-11)15-10-12-7-4-8-13(17)16(12)19-15/h4,7-8,10-11,14,18H,2-3,5-6,9H2,1H3
InChIKeyDLCYTDOFJAGQCK-UHFFFAOYSA-N
MW277.79 g/mol
LogP4.93
Rot. Bonds4

About 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine

1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine (PubChem CID 105048647) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
PubChem CID105048647
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
SMILESCNC(CC1CCCC1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H20ClNO/c1-18-14(9-11-5-2-3-6-11)15-10-12-7-4-8-13(17)16(12)19-15/h4,7-8,10-11,14,18H,2-3,5-6,9H2,1H3
InChIKeyDLCYTDOFJAGQCK-UHFFFAOYSA-N
XLogP4.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045483
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-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105186934
(7-chloro-1-benzofuran-2-yl)-cyclopentylmethanol
CID 114723689
2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 105047443
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105048494
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine
CID 114730852
(7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine
CID 114728828
1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 63092027
[(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 105229716

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine (CID 105048647) is 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine is CNC(CC1CCCC1)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine?
The InChIKey is DLCYTDOFJAGQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-18-14(9-11-5-2-3-6-11)15-10-12-7-4-8-13(17)16(12)19-15/h4,7-8,10-11,14,18H,2-3,5-6,9H2,1H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine?
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine has a molecular weight of 277.79 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine is sourced from PubChem (CID 105048647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).