1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine

C17H22ClNO — CID 105045875

IUPAC1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1(C(NC)c2cc3cc(Cl)ccc3o2)CCCC1
InChIInChI=1S/C17H22ClNO/c1-3-17(8-4-5-9-17)16(19-2)15-11-12-10-13(18)6-7-14(12)20-15/h6-7,10-11,16,19H,3-5,8-9H2,1-2H3
InChIKeyAZIUTVMMGIPSPS-UHFFFAOYSA-N
MW291.82 g/mol
LogP5.32
Rot. Bonds4

About 1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine

1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine (PubChem CID 105045875) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
PubChem CID105045875
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1(C(NC)c2cc3cc(Cl)ccc3o2)CCCC1
InChIInChI=1S/C17H22ClNO/c1-3-17(8-4-5-9-17)16(19-2)15-11-12-10-13(18)6-7-14(12)20-15/h6-7,10-11,16,19H,3-5,8-9H2,1-2H3
InChIKeyAZIUTVMMGIPSPS-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-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114730060
1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105048569
[(1-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338290
N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105045894
1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxy-N-methylethanamine
CID 114729838
[(2,5-dichlorophenyl)-(1-ethylcyclopentyl)methyl]hydrazine
CID 105302035
1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol
CID 114726865
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105046277
1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731317
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
[1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethyl]hydrazine
CID 105246260
5-chloro-2-(1-chlorobutyl)-1-benzofuran
CID 130480572

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine (CID 105045875) is 1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine is CCC1(C(NC)c2cc3cc(Cl)ccc3o2)CCCC1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The InChIKey is AZIUTVMMGIPSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-3-17(8-4-5-9-17)16(19-2)15-11-12-10-13(18)6-7-14(12)20-15/h6-7,10-11,16,19H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
1-(5-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-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 105045875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).