1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine

C17H22ClNO — CID 105048569

IUPAC1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1(C(NC)c2cc3cccc(Cl)c3o2)CCCC1
InChIInChI=1S/C17H22ClNO/c1-3-17(9-4-5-10-17)16(19-2)14-11-12-7-6-8-13(18)15(12)20-14/h6-8,11,16,19H,3-5,9-10H2,1-2H3
InChIKeyOOGLIEROFGMQFV-UHFFFAOYSA-N
MW291.82 g/mol
LogP5.32
Rot. Bonds4

About 1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine

1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine (PubChem CID 105048569) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
PubChem CID105048569
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1(C(NC)c2cc3cccc(Cl)c3o2)CCCC1
InChIInChI=1S/C17H22ClNO/c1-3-17(9-4-5-10-17)16(19-2)14-11-12-7-6-8-13(18)15(12)20-14/h6-8,11,16,19H,3-5,9-10H2,1-2H3
InChIKeyOOGLIEROFGMQFV-UHFFFAOYSA-N
XLogP5.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.82
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
CID 105187005
N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830655
1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105045875
N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 114730941
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine
CID 114731140
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105048647
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114731165
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105186934
(1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047532
1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine
CID 114731347
(7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol
CID 114727098

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine (CID 105048569) is 1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine is CCC1(C(NC)c2cc3cccc(Cl)c3o2)CCCC1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The InChIKey is OOGLIEROFGMQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-3-17(9-4-5-10-17)16(19-2)14-11-12-7-6-8-13(18)15(12)20-14/h6-8,11,16,19H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine has a molecular weight of 291.82 g/mol, XLogP of 5.32, 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)-1-(1-ethylcyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 105048569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).