(1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine

C16H20FNO — CID 105047532

IUPAC(1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESCCC1(C(N)c2cc3cccc(F)c3o2)CCCC1
InChIInChI=1S/C16H20FNO/c1-2-16(8-3-4-9-16)15(18)13-10-11-6-5-7-12(17)14(11)19-13/h5-7,10,15H,2-4,8-9,18H2,1H3
InChIKeyDVPXMMRGAGMKGO-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.54
Rot. Bonds3

About (1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine

(1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 105047532) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is (1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID105047532
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name(1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESCCC1(C(N)c2cc3cccc(F)c3o2)CCCC1
InChIInChI=1S/C16H20FNO/c1-2-16(8-3-4-9-16)15(18)13-10-11-6-5-7-12(17)14(11)19-13/h5-7,10,15H,2-4,8-9,18H2,1H3
InChIKeyDVPXMMRGAGMKGO-UHFFFAOYSA-N
XLogP4.54
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726886
(7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 114731470
2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 103544181
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728036
2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728785
[(7-fluoro-1-benzofuran-2-yl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253565
2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol
CID 114726861
(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047565
1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105048569
(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107192972

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine (CID 105047532) is (1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine is CCC1(C(N)c2cc3cccc(F)c3o2)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is DVPXMMRGAGMKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-2-16(8-3-4-9-16)15(18)13-10-11-6-5-7-12(17)14(11)19-13/h5-7,10,15H,2-4,8-9,18H2,1H3.
What are the key properties of (1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
(1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine has a molecular weight of 261.34 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105047532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).