2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide

C16H24N2O — CID 107398398

IUPAC2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide
SMILESCCN(CC1CCC1)C(=O)Cc1ccccc1CN
InChIInChI=1S/C16H24N2O/c1-2-18(12-13-6-5-7-13)16(19)10-14-8-3-4-9-15(14)11-17/h3-4,8-9,13H,2,5-7,10-12,17H2,1H3
InChIKeyJUNZVLYEHHMVIU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.34
Rot. Bonds6

About 2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide

2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide (PubChem CID 107398398) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide
PubChem CID107398398
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide
SMILESCCN(CC1CCC1)C(=O)Cc1ccccc1CN
InChIInChI=1S/C16H24N2O/c1-2-18(12-13-6-5-7-13)16(19)10-14-8-3-4-9-15(14)11-17/h3-4,8-9,13H,2,5-7,10-12,17H2,1H3
InChIKeyJUNZVLYEHHMVIU-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107397900
2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide
CID 81317798
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-phenylacetamide
CID 107398345
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide
CID 63957099
2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 81312909
2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
CID 107397528
2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 81321874
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide
CID 60921545
(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
CID 107398372
3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
CID 107398357
1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one
CID 116596015
2-amino-N-[2-[cyclobutylmethyl(ethyl)amino]-2-oxoethyl]acetamide
CID 107398419

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide (CID 107398398) is 2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide is CCN(CC1CCC1)C(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide?
The InChIKey is JUNZVLYEHHMVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-18(12-13-6-5-7-13)16(19)10-14-8-3-4-9-15(14)11-17/h3-4,8-9,13H,2,5-7,10-12,17H2,1H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide?
2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide has a molecular weight of 260.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide is sourced from PubChem (CID 107398398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).