2-(aminomethyl)-3-(3-methylphenyl)propanamide

C11H16N2O — CID 43148279

IUPAC2-(aminomethyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CC(CN)C(N)=O)c1
InChIInChI=1S/C11H16N2O/c1-8-3-2-4-9(5-8)6-10(7-12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H2,13,14)
InChIKeyUIMSKWJZZPRMGB-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.60
Rot. Bonds4

About 2-(aminomethyl)-3-(3-methylphenyl)propanamide

2-(aminomethyl)-3-(3-methylphenyl)propanamide (PubChem CID 43148279) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-methylphenyl)propanamide
PubChem CID43148279
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(aminomethyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CC(CN)C(N)=O)c1
InChIInChI=1S/C11H16N2O/c1-8-3-2-4-9(5-8)6-10(7-12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H2,13,14)
InChIKeyUIMSKWJZZPRMGB-UHFFFAOYSA-N
XLogP0.60
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(aminomethyl)-3-(3-methylphenyl)propanoate;hydrochloride
CID 50988546
2-(aminomethyl)-3-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 62081897
3-(3-methylphenyl)-2-phenylpropanamide
CID 123295994
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
disodium;2-[(3-methylphenyl)methyl]butanedioate
CID 168862255
2-[(3-methylphenyl)methyl]pentanedioic acid
CID 112511845
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
(2S)-3-(3-methylphenyl)-2-sulfanylpropanoic acid
CID 959252
1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one
CID 110408745
2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid
CID 102877599
formamide;1-methyl-3-(2-methylpropyl)benzene
CID 170631476
2-[(3-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
CID 79418956

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-methylphenyl)propanamide?
The IUPAC name of 2-(aminomethyl)-3-(3-methylphenyl)propanamide (CID 43148279) is 2-(aminomethyl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for 2-(aminomethyl)-3-(3-methylphenyl)propanamide is Cc1cccc(CC(CN)C(N)=O)c1.
What is the InChIKey of 2-(aminomethyl)-3-(3-methylphenyl)propanamide?
The InChIKey is UIMSKWJZZPRMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-3-2-4-9(5-8)6-10(7-12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H2,13,14).
What are the key properties of 2-(aminomethyl)-3-(3-methylphenyl)propanamide?
2-(aminomethyl)-3-(3-methylphenyl)propanamide has a molecular weight of 192.26 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 43148279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).