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

C15H25N3O — CID 62624662

IUPAC3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(C)Cc1ccccc1CN
InChIInChI=1S/C15H25N3O/c1-12(2)17-15(19)8-9-18(3)11-14-7-5-4-6-13(14)10-16/h4-7,12H,8-11,16H2,1-3H3,(H,17,19)
InChIKeyDEUORINVOSMLHW-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.49
Rot. Bonds7

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

3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide (PubChem CID 62624662) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
PubChem CID62624662
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(C)Cc1ccccc1CN
InChIInChI=1S/C15H25N3O/c1-12(2)17-15(19)8-9-18(3)11-14-7-5-4-6-13(14)10-16/h4-7,12H,8-11,16H2,1-3H3,(H,17,19)
InChIKeyDEUORINVOSMLHW-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 ≤ 500263.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 55098335
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 113118369
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 43575631
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-butylpropanamide
CID 60922998
2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide
CID 107105633
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161
3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide
CID 62624496
N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine
CID 60922084
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide
CID 81318090
3-[(4,6-dimethyl-2-pyridinyl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 91834164
4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]pentanoic acid
CID 81322254

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide (CID 62624662) is 3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN(C)Cc1ccccc1CN.
What is the InChIKey of 3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide?
The InChIKey is DEUORINVOSMLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)17-15(19)8-9-18(3)11-14-7-5-4-6-13(14)10-16/h4-7,12H,8-11,16H2,1-3H3,(H,17,19).
What are the key properties of 3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide?
3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide has a molecular weight of 263.38 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-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 62624662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).