[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone

C16H18FNO2 — CID 114737168

IUPAC[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESNCC1(C(=O)c2cc3cccc(F)c3o2)CCCCC1
InChIInChI=1S/C16H18FNO2/c17-12-6-4-5-11-9-13(20-14(11)12)15(19)16(10-18)7-2-1-3-8-16/h4-6,9H,1-3,7-8,10,18H2
InChIKeySSPDSTHSLDQHFD-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.66
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone

[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 114737168) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
PubChem CID114737168
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESNCC1(C(=O)c2cc3cccc(F)c3o2)CCCCC1
InChIInChI=1S/C16H18FNO2/c17-12-6-4-5-11-9-13(20-14(11)12)15(19)16(10-18)7-2-1-3-8-16/h4-6,9H,1-3,7-8,10,18H2
InChIKeySSPDSTHSLDQHFD-UHFFFAOYSA-N
XLogP3.66
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114725645
[1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone
CID 114737161
2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114736987
7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide
CID 111485827
[1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114737162
(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 114736767
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
(7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone
CID 114726210
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805
(1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736196
3-amino-1-(7-fluoro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 114737156
2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
CID 114736846

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone (CID 114737168) is [1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone is NCC1(C(=O)c2cc3cccc(F)c3o2)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is SSPDSTHSLDQHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c17-12-6-4-5-11-9-13(20-14(11)12)15(19)16(10-18)7-2-1-3-8-16/h4-6,9H,1-3,7-8,10,18H2.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone?
[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 275.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114737168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).