2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine

C17H22ClNO — CID 114732942

IUPAC2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1c1cc2cccc(Cl)c2o1
InChIInChI=1S/C17H22ClNO/c1-2-19-15-10-5-3-4-8-13(15)16-11-12-7-6-9-14(18)17(12)20-16/h6-7,9,11,13,15,19H,2-5,8,10H2,1H3
InChIKeyYYTYWROKEXSLGN-UHFFFAOYSA-N
MW291.82 g/mol
LogP5.11
Rot. Bonds3

About 2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine

2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine (PubChem CID 114732942) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine
PubChem CID114732942
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1c1cc2cccc(Cl)c2o1
InChIInChI=1S/C17H22ClNO/c1-2-19-15-10-5-3-4-8-13(15)16-11-12-7-6-9-14(18)17(12)20-16/h6-7,9,11,13,15,19H,2-5,8,10H2,1H3
InChIKeyYYTYWROKEXSLGN-UHFFFAOYSA-N
XLogP5.11
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.82
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-chloro-1-benzofuran-2-yl)-N-propylcyclohexan-1-amine
CID 114732912
N-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine
CID 114732902
2-(2-bromocycloheptyl)-7-chloro-1-benzofuran
CID 114732835
N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine
CID 114732940
2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine
CID 114732944
1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 114735860
2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine
CID 55197274
N-ethyl-2-(3-methylphenyl)cycloheptan-1-amine
CID 62604421
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105048494
3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
CID 114733667
N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine
CID 114735736
2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine
CID 105395830

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine (CID 114732942) is 2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1c1cc2cccc(Cl)c2o1.
What is the InChIKey of 2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine?
The InChIKey is YYTYWROKEXSLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-2-19-15-10-5-3-4-8-13(15)16-11-12-7-6-9-14(18)17(12)20-16/h6-7,9,11,13,15,19H,2-5,8,10H2,1H3.
What are the key properties of 2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine?
2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine has a molecular weight of 291.82 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 114732942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).