2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide

C15H24N2O2 — CID 114290441

IUPAC2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide
SMILESCCC(C)(CN)C(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C15H24N2O2/c1-5-15(2,11-16)14(18)17(3)10-12-7-6-8-13(9-12)19-4/h6-9H,5,10-11,16H2,1-4H3
InChIKeyPWZCZJOCQODWER-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.03
Rot. Bonds6

About 2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide

2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide (PubChem CID 114290441) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide
PubChem CID114290441
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide
SMILESCCC(C)(CN)C(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C15H24N2O2/c1-5-15(2,11-16)14(18)17(3)10-12-7-6-8-13(9-12)19-4/h6-9H,5,10-11,16H2,1-4H3
InChIKeyPWZCZJOCQODWER-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929069
2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55055981
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 114290739
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
N-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide
CID 103017302
N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine
CID 65253981
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide (CID 114290441) is 2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide is CCC(C)(CN)C(=O)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide?
The InChIKey is PWZCZJOCQODWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-15(2,11-16)14(18)17(3)10-12-7-6-8-13(9-12)19-4/h6-9H,5,10-11,16H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide?
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.03, 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-methoxyphenyl)methyl]-N,2-dimethylbutanamide is sourced from PubChem (CID 114290441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).