N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine

C17H22FNO — CID 114732940

IUPACN-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine
SMILESCCNC1CCCCCC1c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H22FNO/c1-2-19-15-7-5-3-4-6-14(15)17-11-12-10-13(18)8-9-16(12)20-17/h8-11,14-15,19H,2-7H2,1H3
InChIKeyFHGUCFDOAWVBNZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.60
Rot. Bonds3

About N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine

N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine (PubChem CID 114732940) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine
PubChem CID114732940
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC NameN-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine
SMILESCCNC1CCCCCC1c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H22FNO/c1-2-19-15-7-5-3-4-6-14(15)17-11-12-10-13(18)8-9-16(12)20-17/h8-11,14-15,19H,2-7H2,1H3
InChIKeyFHGUCFDOAWVBNZ-UHFFFAOYSA-N
XLogP4.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine
CID 114732944
3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine
CID 114733630
2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine
CID 114732942
N-methyl-2-(5-methyl-1-benzofuran-2-yl)cycloheptan-1-amine
CID 114732936
N-ethyl-2-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-amine
CID 114732902
2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine
CID 105395830
N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine
CID 82783172
1-[2-(5-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 114735845
2-(5-chloro-1-benzofuran-2-yl)-N-methylcyclopentan-1-amine
CID 114732915
[2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine
CID 114735548
2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine
CID 63942073
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
CID 107282911

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine (CID 114732940) is N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine is CCNC1CCCCCC1c1cc2cc(F)ccc2o1.
What is the InChIKey of N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine?
The InChIKey is FHGUCFDOAWVBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-2-19-15-7-5-3-4-6-14(15)17-11-12-10-13(18)8-9-16(12)20-17/h8-11,14-15,19H,2-7H2,1H3.
What are the key properties of N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine?
N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 114732940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).