2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide

C14H22N2O2 — CID 115186880

IUPAC2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H22N2O2/c1-5-11(9-15)14(17)16(3)12-6-7-13(18-4)10(2)8-12/h6-8,11H,5,9,15H2,1-4H3
InChIKeyPUSWGNKOQFGMSM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.95
Rot. Bonds5

About 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide

2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide (PubChem CID 115186880) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide
PubChem CID115186880
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H22N2O2/c1-5-11(9-15)14(17)16(3)12-6-7-13(18-4)10(2)8-12/h6-8,11H,5,9,15H2,1-4H3
InChIKeyPUSWGNKOQFGMSM-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide
CID 115186906
2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide
CID 115186879
2-hydroxy-N-(4-methoxy-3-methylphenyl)-N-methylpropanamide
CID 115140469
2-[(4-methoxy-N,3-dimethylanilino)methyl]butanoic acid
CID 115249788
2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide
CID 115186940
N-(3,4-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide
CID 115188788
3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 83535959
methyl 2-[(4-methoxy-3-methylphenyl)methyl]butanoate
CID 116931262
methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate
CID 115174603
4-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115156304
2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 83541837
2-(aminomethyl)-3-(4-methoxy-3-methylphenyl)propanoic acid
CID 62133714

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide (CID 115186880) is 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide is CCC(CN)C(=O)N(C)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide?
The InChIKey is PUSWGNKOQFGMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-11(9-15)14(17)16(3)12-6-7-13(18-4)10(2)8-12/h6-8,11H,5,9,15H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide?
2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide is sourced from PubChem (CID 115186880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).