2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide

C13H20N2O2 — CID 62081872

IUPAC2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide
SMILESCCCNC(=O)C(CN)Cc1cccc(O)c1
InChIInChI=1S/C13H20N2O2/c1-2-6-15-13(17)11(9-14)7-10-4-3-5-12(16)8-10/h3-5,8,11,16H,2,6-7,9,14H2,1H3,(H,15,17)
InChIKeyFEJJQWQNVAVPGE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.04
Rot. Bonds6

About 2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide

2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide (PubChem CID 62081872) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide
PubChem CID62081872
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide
SMILESCCCNC(=O)C(CN)Cc1cccc(O)c1
InChIInChI=1S/C13H20N2O2/c1-2-6-15-13(17)11(9-14)7-10-4-3-5-12(16)8-10/h3-5,8,11,16H,2,6-7,9,14H2,1H3,(H,15,17)
InChIKeyFEJJQWQNVAVPGE-UHFFFAOYSA-N
XLogP1.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-(3,4-difluorophenyl)-N-propylpropanamide
CID 62081171
2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide
CID 113328883
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide
CID 62095764
2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide
CID 62095432
(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide
CID 20638149
2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82940849
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
3-(propylaminomethyl)phenol
CID 10725714
2-[(3-hydroxyphenyl)methyl]-3-phosphonopropanoic acid
CID 11065160
2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide
CID 63002980
2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide
CID 106335596
2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide
CID 115527337

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide (CID 62081872) is 2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide is CCCNC(=O)C(CN)Cc1cccc(O)c1.
What is the InChIKey of 2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide?
The InChIKey is FEJJQWQNVAVPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-6-15-13(17)11(9-14)7-10-4-3-5-12(16)8-10/h3-5,8,11,16H,2,6-7,9,14H2,1H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide?
2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide is sourced from PubChem (CID 62081872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).