3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine

C17H22FNO — CID 114733630

IUPAC3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(c2cc3cc(F)ccc3o2)C1C
InChIInChI=1S/C17H22FNO/c1-3-8-19-15-6-5-14(11(15)2)17-10-12-9-13(18)4-7-16(12)20-17/h4,7,9-11,14-15,19H,3,5-6,8H2,1-2H3
InChIKeyOHDHHCCSDYWLOF-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.45
Rot. Bonds4

About 3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine

3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine (PubChem CID 114733630) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine
PubChem CID114733630
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(c2cc3cc(F)ccc3o2)C1C
InChIInChI=1S/C17H22FNO/c1-3-8-19-15-6-5-14(11(15)2)17-10-12-9-13(18)4-7-16(12)20-17/h4,7,9-11,14-15,19H,3,5-6,8H2,1-2H3
InChIKeyOHDHHCCSDYWLOF-UHFFFAOYSA-N
XLogP4.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64909010
N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine
CID 114732940
1-[2-(5-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 114735845
2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine
CID 114732944
[2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine
CID 114735548
3-(furan-3-yl)-2-methyl-N-propylcyclopentan-1-amine
CID 64909662
3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64910087
3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine
CID 107290266
3-(4-chlorophenyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64908355
3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine
CID 64906351
3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine
CID 104739065
3-(3,5-difluorophenyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 64908994

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine (CID 114733630) is 3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(c2cc3cc(F)ccc3o2)C1C.
What is the InChIKey of 3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine?
The InChIKey is OHDHHCCSDYWLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-3-8-19-15-6-5-14(11(15)2)17-10-12-9-13(18)4-7-16(12)20-17/h4,7,9-11,14-15,19H,3,5-6,8H2,1-2H3.
What are the key properties of 3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine?
3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 114733630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).