3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide

C15H25N3O — CID 55098335

IUPAC3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(C)Cc1ccc(CN)cc1
InChIInChI=1S/C15H25N3O/c1-12(2)17-15(19)8-9-18(3)11-14-6-4-13(10-16)5-7-14/h4-7,12H,8-11,16H2,1-3H3,(H,17,19)
InChIKeyFQBIWQGKLLVBQS-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.49
Rot. Bonds7

About 3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide

3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide (PubChem CID 55098335) has the molecular formula C15H25N3O and a molecular weight of 263.39 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
PubChem CID55098335
Molecular FormulaC15H25N3O
Molecular Weight263.39 g/mol
Exact Mass263.20
IUPAC Name3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(C)Cc1ccc(CN)cc1
InChIInChI=1S/C15H25N3O/c1-12(2)17-15(19)8-9-18(3)11-14-6-4-13(10-16)5-7-14/h4-7,12H,8-11,16H2,1-3H3,(H,17,19)
InChIKeyFQBIWQGKLLVBQS-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide 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

3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide
CID 62624496
3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 62624662
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide
CID 61489756
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 62628056
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
ethyl 3-[[4-(aminomethyl)phenyl]methyl-methylamino]propanoate
CID 63380492
2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid
CID 105345888
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine
CID 80698741
N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine
CID 43270951
3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 62625154
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide
CID 113139464

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide (CID 55098335) is 3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN(C)Cc1ccc(CN)cc1.
What is the InChIKey of 3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide?
The InChIKey is FQBIWQGKLLVBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)17-15(19)8-9-18(3)11-14-6-4-13(10-16)5-7-14/h4-7,12H,8-11,16H2,1-3H3,(H,17,19).
What are the key properties of 3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide?
3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide has a molecular weight of 263.39 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 55098335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).