3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine

C16H20ClNO — CID 114733667

IUPAC3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(c2cc3cccc(Cl)c3o2)C1
InChIInChI=1S/C16H20ClNO/c1-3-18-12-7-8-16(2,10-12)14-9-11-5-4-6-13(17)15(11)19-14/h4-6,9,12,18H,3,7-8,10H2,1-2H3
InChIKeySJEHMTSLYLYRSI-UHFFFAOYSA-N
MW277.79 g/mol
LogP4.51
Rot. Bonds3

About 3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine

3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine (PubChem CID 114733667) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is 3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
PubChem CID114733667
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC Name3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(c2cc3cccc(Cl)c3o2)C1
InChIInChI=1S/C16H20ClNO/c1-3-18-12-7-8-16(2,10-12)14-9-11-5-4-6-13(17)15(11)19-14/h4-6,9,12,18H,3,7-8,10H2,1-2H3
InChIKeySJEHMTSLYLYRSI-UHFFFAOYSA-N
XLogP4.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine?
The IUPAC name of 3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine (CID 114733667) is 3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine?
The canonical SMILES for 3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine is CCNC1CCC(C)(c2cc3cccc(Cl)c3o2)C1.
What is the InChIKey of 3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine?
The InChIKey is SJEHMTSLYLYRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-3-18-12-7-8-16(2,10-12)14-9-11-5-4-6-13(17)15(11)19-14/h4-6,9,12,18H,3,7-8,10H2,1-2H3.
What are the key properties of 3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine?
3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine has a molecular weight of 277.79 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine is sourced from PubChem (CID 114733667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).