2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide

C15H22N2O2 — CID 55039758

IUPAC2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide
SMILESCOc1ccc(CC(CN)C(=O)NC2CC2)cc1C
InChIInChI=1S/C15H22N2O2/c1-10-7-11(3-6-14(10)19-2)8-12(9-16)15(18)17-13-4-5-13/h3,6-7,12-13H,4-5,8-9,16H2,1-2H3,(H,17,18)
InChIKeyPZTBRYKHKUYRTB-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.40
Rot. Bonds6

About 2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide

2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide (PubChem CID 55039758) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide
PubChem CID55039758
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide
SMILESCOc1ccc(CC(CN)C(=O)NC2CC2)cc1C
InChIInChI=1S/C15H22N2O2/c1-10-7-11(3-6-14(10)19-2)8-12(9-16)15(18)17-13-4-5-13/h3,6-7,12-13H,4-5,8-9,16H2,1-2H3,(H,17,18)
InChIKeyPZTBRYKHKUYRTB-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide
CID 62131885
2-(aminomethyl)-3-(4-methoxy-3-methylphenyl)propanoic acid
CID 62133714
methyl 2-[(4-methoxy-3-methylphenyl)methyl]butanoate
CID 116931262
2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide
CID 62097179
2-bromo-1-cyclopropyl-3-(4-methoxy-3-methylphenyl)propan-1-one
CID 62394840
(2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
CID 124512316
2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide
CID 62081534
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide
CID 62095764
2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide
CID 113328886
3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 83818376
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 65096529
N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 121194081

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide (CID 55039758) is 2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide is COc1ccc(CC(CN)C(=O)NC2CC2)cc1C.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide?
The InChIKey is PZTBRYKHKUYRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-7-11(3-6-14(10)19-2)8-12(9-16)15(18)17-13-4-5-13/h3,6-7,12-13H,4-5,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide?
2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide has a molecular weight of 262.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide is sourced from PubChem (CID 55039758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).