2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide

C15H24N2O2 — CID 115186906

IUPAC2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide
SMILESCCc1cc(N(C)C(=O)C(CC)CN)ccc1OC
InChIInChI=1S/C15H24N2O2/c1-5-11-9-13(7-8-14(11)19-4)17(3)15(18)12(6-2)10-16/h7-9,12H,5-6,10,16H2,1-4H3
InChIKeyDQTQMRQKLUKYOB-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.21
Rot. Bonds6

About 2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide

2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide (PubChem CID 115186906) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide
PubChem CID115186906
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide
SMILESCCc1cc(N(C)C(=O)C(CC)CN)ccc1OC
InChIInChI=1S/C15H24N2O2/c1-5-11-9-13(7-8-14(11)19-4)17(3)15(18)12(6-2)10-16/h7-9,12H,5-6,10,16H2,1-4H3
InChIKeyDQTQMRQKLUKYOB-UHFFFAOYSA-N
XLogP2.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide
CID 115186880
2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide
CID 115186879
N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide
CID 115190181
N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178652
2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide
CID 115186940
methyl 2-[(3-ethyl-4-methoxyanilino)methyl]butanoate
CID 115252994
2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 83541837
2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide
CID 116845766
2-amino-3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115179186
N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide
CID 28755474
methyl 2-(aminomethyl)-3-(2,5-dimethoxyphenyl)propanoate
CID 43148171
N-(5-bromo-2-methoxyphenyl)-2-(hydroxymethyl)-N-methylbutanamide
CID 115186443

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide (CID 115186906) is 2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide is CCc1cc(N(C)C(=O)C(CC)CN)ccc1OC.
What is the InChIKey of 2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide?
The InChIKey is DQTQMRQKLUKYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-11-9-13(7-8-14(11)19-4)17(3)15(18)12(6-2)10-16/h7-9,12H,5-6,10,16H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide?
2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide is sourced from PubChem (CID 115186906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).