N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide

C15H23N3O — CID 54882030

IUPACN-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide
SMILESCC1CCCN1CCC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C15H23N3O/c1-12-3-2-9-18(12)10-8-15(19)17-14-6-4-13(11-16)5-7-14/h4-7,12H,2-3,8-11,16H2,1H3,(H,17,19)
InChIKeyDHLUNWTZRMXOON-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.96
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide

N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide (PubChem CID 54882030) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide
PubChem CID54882030
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide
SMILESCC1CCCN1CCC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C15H23N3O/c1-12-3-2-9-18(12)10-8-15(19)17-14-6-4-13(11-16)5-7-14/h4-7,12H,2-3,8-11,16H2,1H3,(H,17,19)
InChIKeyDHLUNWTZRMXOON-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 43212141
N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 60973340
N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882625
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124242
N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188013
4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119844974
N-(4-ethylphenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]acetamide
CID 95774756
N-(3-aminophenyl)-4-(2-methylpyrrolidin-1-yl)butanamide
CID 54881953
N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 16784105
N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407186
N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 16779543

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide (CID 54882030) is N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide is CC1CCCN1CCC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide?
The InChIKey is DHLUNWTZRMXOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-3-2-9-18(12)10-8-15(19)17-14-6-4-13(11-16)5-7-14/h4-7,12H,2-3,8-11,16H2,1H3,(H,17,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide?
N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 54882030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).