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

C15H24N2O — CID 81317798

IUPAC2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide
SMILESCCCCN(CC)C(=O)Cc1ccccc1CN
InChIInChI=1S/C15H24N2O/c1-3-5-10-17(4-2)15(18)11-13-8-6-7-9-14(13)12-16/h6-9H,3-5,10-12,16H2,1-2H3
InChIKeyYTPHWBVFJGWYEW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.34
Rot. Bonds7

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

2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide (PubChem CID 81317798) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide
PubChem CID81317798
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide
SMILESCCCCN(CC)C(=O)Cc1ccccc1CN
InChIInChI=1S/C15H24N2O/c1-3-5-10-17(4-2)15(18)11-13-8-6-7-9-14(13)12-16/h6-9H,3-5,10-12,16H2,1-2H3
InChIKeyYTPHWBVFJGWYEW-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide
CID 86976336
2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 81321874
N,N-dibutyl-2-(2-hydroxyphenyl)acetamide
CID 78916820
N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide
CID 63756056
2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 81312909
2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide
CID 107398398
N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
CID 80741482
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide
CID 81312467
N-(2-aminoethyl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 61350278
2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide
CID 55002605
3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide
CID 81311740
N-butyl-N-ethyl-2-(3-hydroxyphenyl)acetamide
CID 61399892

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide (CID 81317798) is 2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide is CCCCN(CC)C(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide?
The InChIKey is YTPHWBVFJGWYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-5-10-17(4-2)15(18)11-13-8-6-7-9-14(13)12-16/h6-9H,3-5,10-12,16H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide?
2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide has a molecular weight of 248.37 g/mol, XLogP of 2.34, 7 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-butyl-N-ethylacetamide is sourced from PubChem (CID 81317798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).