N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide

C15H23N3O2 — CID 61407186

IUPACN-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESNCc1cccc(NC(=O)CCN2CCCC2CO)c1
InChIInChI=1S/C15H23N3O2/c16-10-12-3-1-4-13(9-12)17-15(20)6-8-18-7-2-5-14(18)11-19/h1,3-4,9,14,19H,2,5-8,10-11,16H2,(H,17,20)
InChIKeySRDUWBPMPOHZGH-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.93
Rot. Bonds6

About N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide

N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 61407186) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID61407186
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESNCc1cccc(NC(=O)CCN2CCCC2CO)c1
InChIInChI=1S/C15H23N3O2/c16-10-12-3-1-4-13(9-12)17-15(20)6-8-18-7-2-5-14(18)11-19/h1,3-4,9,14,19H,2,5-8,10-11,16H2,(H,17,20)
InChIKeySRDUWBPMPOHZGH-UHFFFAOYSA-N
XLogP0.93
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124242
N-(3-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62736577
N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide
CID 116637464
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide
CID 115559140
N-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407514
3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 56526547
N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide
CID 61406991
N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956603
N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
CID 16793720
N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882030
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 109032765
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide (CID 61407186) is N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide is NCc1cccc(NC(=O)CCN2CCCC2CO)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is SRDUWBPMPOHZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-10-12-3-1-4-13(9-12)17-15(20)6-8-18-7-2-5-14(18)11-19/h1,3-4,9,14,19H,2,5-8,10-11,16H2,(H,17,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 277.37 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 61407186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).