N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide

C16H25N3O — CID 79188013

IUPACN-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide
SMILESCC1CN(CCC(=O)Nc2ccc(CN)cc2)CC1C
InChIInChI=1S/C16H25N3O/c1-12-10-19(11-13(12)2)8-7-16(20)18-15-5-3-14(9-17)4-6-15/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyKORMHJBRMZRMBG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.06
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide

N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide (PubChem CID 79188013) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide
PubChem CID79188013
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide
SMILESCC1CN(CCC(=O)Nc2ccc(CN)cc2)CC1C
InChIInChI=1S/C16H25N3O/c1-12-10-19(11-13(12)2)8-7-16(20)18-15-5-3-14(9-17)4-6-15/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyKORMHJBRMZRMBG-UHFFFAOYSA-N
XLogP2.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 16784105
N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088
N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882030
N-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide
CID 43592490
3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide
CID 2901547
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide
CID 115559140
N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 148502419
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)propanamide
CID 771352
N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 16779543
3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
CID 126467812
N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 82032029

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide (CID 79188013) is N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide is CC1CN(CCC(=O)Nc2ccc(CN)cc2)CC1C.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide?
The InChIKey is KORMHJBRMZRMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-10-19(11-13(12)2)8-7-16(20)18-15-5-3-14(9-17)4-6-15/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide?
N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.06, 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-(3,4-dimethylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 79188013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).