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

C16H18FNO2 — CID 114737005

IUPAC[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESNCC1CCC(C(=O)c2cc3cccc(F)c3o2)CC1
InChIInChI=1S/C16H18FNO2/c17-13-3-1-2-12-8-14(20-16(12)13)15(19)11-6-4-10(9-18)5-7-11/h1-3,8,10-11H,4-7,9,18H2
InChIKeyAWTJVRUMHILCOV-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.52
Rot. Bonds3

About [4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone

[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 114737005) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
PubChem CID114737005
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESNCC1CCC(C(=O)c2cc3cccc(F)c3o2)CC1
InChIInChI=1S/C16H18FNO2/c17-13-3-1-2-12-8-14(20-16(12)13)15(19)11-6-4-10(9-18)5-7-11/h1-3,8,10-11H,4-7,9,18H2
InChIKeyAWTJVRUMHILCOV-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 105132886
[4-(aminomethyl)cyclohexyl]-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737009
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
[4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 114737007
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805
(6-chloro-7-fluoro-1-benzofuran-2-yl)-cyclopropylmethanone
CID 116690863
(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107187565
1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone
CID 64773771
3-amino-1-(7-fluoro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 114737156
[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737168
1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one
CID 114733174
(7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone
CID 114737342

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone (CID 114737005) is [4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone is NCC1CCC(C(=O)c2cc3cccc(F)c3o2)CC1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is AWTJVRUMHILCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c17-13-3-1-2-12-8-14(20-16(12)13)15(19)11-6-4-10(9-18)5-7-11/h1-3,8,10-11H,4-7,9,18H2.
What are the key properties of [4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone?
[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 275.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114737005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).