[2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone

C16H23NO2 — CID 116584488

IUPAC[2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)C1CCCCC1CN
InChIInChI=1S/C16H23NO2/c1-2-19-15-10-6-5-9-14(15)16(18)13-8-4-3-7-12(13)11-17/h5-6,9-10,12-13H,2-4,7-8,11,17H2,1H3
InChIKeyYGISFADGMSGKAX-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds5

About [2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone

[2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone (PubChem CID 116584488) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone
PubChem CID116584488
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name[2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)C1CCCCC1CN
InChIInChI=1S/C16H23NO2/c1-2-19-15-10-6-5-9-14(15)16(18)13-8-4-3-7-12(13)11-17/h5-6,9-10,12-13H,2-4,7-8,11,17H2,1H3
InChIKeyYGISFADGMSGKAX-UHFFFAOYSA-N
XLogP3.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone
CID 116584561
2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
[2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone
CID 116584732
[2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 116584688
2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 81008651
[2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone
CID 116584564
2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814568
7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone
CID 116575878
(2-ethoxyphenyl)-(4-ethylcyclohexyl)methanone
CID 65395371
(2-ethoxyphenyl)-(3-methylcyclohexyl)methanone
CID 62801545
N-(2-aminoethyl)-N-cyclopropyl-2-ethoxybenzamide
CID 61349951
cyclododecyl 2-ethoxybenzenecarboperoxoate
CID 173265751

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone?
The IUPAC name of [2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone (CID 116584488) is [2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)C1CCCCC1CN.
What is the InChIKey of [2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone?
The InChIKey is YGISFADGMSGKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-19-15-10-6-5-9-14(15)16(18)13-8-4-3-7-12(13)11-17/h5-6,9-10,12-13H,2-4,7-8,11,17H2,1H3.
What are the key properties of [2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone?
[2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone has a molecular weight of 261.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 116584488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).