2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide

C12H18N2O2 — CID 62096110

IUPAC2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)C(CN)Cc1ccccc1OC
InChIInChI=1S/C12H18N2O2/c1-14-12(15)10(8-13)7-9-5-3-4-6-11(9)16-2/h3-6,10H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyRNNHQCIPGWQWMK-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.56
Rot. Bonds5

About 2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide

2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide (PubChem CID 62096110) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide
PubChem CID62096110
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)C(CN)Cc1ccccc1OC
InChIInChI=1S/C12H18N2O2/c1-14-12(15)10(8-13)7-9-5-3-4-6-11(9)16-2/h3-6,10H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyRNNHQCIPGWQWMK-UHFFFAOYSA-N
XLogP0.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide
CID 62097179
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
4-hydroxy-2-[(2-methoxyphenyl)methyl]butanoic acid
CID 79419076
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide
CID 120504695
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
2-[(2-methoxyphenyl)methyl]-4-phenylbutanoic acid
CID 79422266
prop-2-enyl (2S)-2-[(2-methoxyphenyl)methyl]pent-4-enoate
CID 101387693
ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate
CID 43148320
2-(2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846272
3-chloro-4-(2-methoxyphenyl)butan-2-one
CID 82185002

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide (CID 62096110) is 2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide is CNC(=O)C(CN)Cc1ccccc1OC.
What is the InChIKey of 2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide?
The InChIKey is RNNHQCIPGWQWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-12(15)10(8-13)7-9-5-3-4-6-11(9)16-2/h3-6,10H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide?
2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 62096110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).