2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide

C15H24N2O — CID 62083291

IUPAC2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide
SMILESCc1ccc(CC(CN)C(=O)NC(C)C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-10(2)17-15(18)14(9-16)8-13-6-5-11(3)7-12(13)4/h5-7,10,14H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyCAUYVICGXBFLAP-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.95
Rot. Bonds5

About 2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide

2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide (PubChem CID 62083291) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide
PubChem CID62083291
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide
SMILESCc1ccc(CC(CN)C(=O)NC(C)C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-10(2)17-15(18)14(9-16)8-13-6-5-11(3)7-12(13)4/h5-7,10,14H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyCAUYVICGXBFLAP-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide
CID 55034612
(2R)-2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]propanamide
CID 119321025
2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide
CID 62121929
methyl 2-[(2,4-dimethylphenyl)methyl]butanoate
CID 116931270
2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one
CID 62081726
2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide
CID 119779245
(2R)-3-(2,4-dimethylphenyl)-2-methylpropanoic acid
CID 96752041
methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate
CID 91978759
2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide
CID 115187571
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 120507266
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide (CID 62083291) is 2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide is Cc1ccc(CC(CN)C(=O)NC(C)C)c(C)c1.
What is the InChIKey of 2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide?
The InChIKey is CAUYVICGXBFLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10(2)17-15(18)14(9-16)8-13-6-5-11(3)7-12(13)4/h5-7,10,14H,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide?
2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 62083291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).