2-(aminomethyl)-N,N-diethyl-3-(3-hydroxy-4-methoxyphenyl)propanamide

C15H24N2O3 — CID 62082772

IUPAC2-(aminomethyl)-N,N-diethyl-3-(3-hydroxy-4-methoxyphenyl)propanamide
SMILESCCN(CC)C(=O)C(CN)Cc1ccc(OC)c(O)c1
InChIInChI=1S/C15H24N2O3/c1-4-17(5-2)15(19)12(10-16)8-11-6-7-14(20-3)13(18)9-11/h6-7,9,12,18H,4-5,8,10,16H2,1-3H3
InChIKeyDBMRHCLPJIOOEN-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.39
Rot. Bonds7

About 2-(aminomethyl)-N,N-diethyl-3-(3-hydroxy-4-methoxyphenyl)propanamide

2-(aminomethyl)-N,N-diethyl-3-(3-hydroxy-4-methoxyphenyl)propanamide (PubChem CID 62082772) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-diethyl-3-(3-hydroxy-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-diethyl-3-(3-hydroxy-4-methoxyphenyl)propanamide
PubChem CID62082772
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(aminomethyl)-N,N-diethyl-3-(3-hydroxy-4-methoxyphenyl)propanamide
SMILESCCN(CC)C(=O)C(CN)Cc1ccc(OC)c(O)c1
InChIInChI=1S/C15H24N2O3/c1-4-17(5-2)15(19)12(10-16)8-11-6-7-14(20-3)13(18)9-11/h6-7,9,12,18H,4-5,8,10,16H2,1-3H3
InChIKeyDBMRHCLPJIOOEN-UHFFFAOYSA-N
XLogP1.39
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide
CID 62097179
diethyl 2-[(3-hydroxy-4-methoxyphenyl)methyl]propanedioate
CID 59114437
5-(aminomethyl)-2-methoxyphenol
CID 1132998
2-(aminomethyl)-3-(4-methoxy-3-methylphenyl)propanoic acid
CID 62133714
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide
CID 62095764
2-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 65227293
2-amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 19842140
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol
CID 139528672
3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal
CID 83830640
2-methoxy-5-(2-methylpentyl)phenol
CID 154974152
5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol
CID 82160848

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-diethyl-3-(3-hydroxy-4-methoxyphenyl)propanamide?
The IUPAC name of 2-(aminomethyl)-N,N-diethyl-3-(3-hydroxy-4-methoxyphenyl)propanamide (CID 62082772) is 2-(aminomethyl)-N,N-diethyl-3-(3-hydroxy-4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(aminomethyl)-N,N-diethyl-3-(3-hydroxy-4-methoxyphenyl)propanamide?
The canonical SMILES for 2-(aminomethyl)-N,N-diethyl-3-(3-hydroxy-4-methoxyphenyl)propanamide is CCN(CC)C(=O)C(CN)Cc1ccc(OC)c(O)c1.
What is the InChIKey of 2-(aminomethyl)-N,N-diethyl-3-(3-hydroxy-4-methoxyphenyl)propanamide?
The InChIKey is DBMRHCLPJIOOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-17(5-2)15(19)12(10-16)8-11-6-7-14(20-3)13(18)9-11/h6-7,9,12,18H,4-5,8,10,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N,N-diethyl-3-(3-hydroxy-4-methoxyphenyl)propanamide?
2-(aminomethyl)-N,N-diethyl-3-(3-hydroxy-4-methoxyphenyl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-diethyl-3-(3-hydroxy-4-methoxyphenyl)propanamide is sourced from PubChem (CID 62082772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).