3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide

C14H23N3O — CID 55104517

IUPAC3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide
SMILESCC(CN)C(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C14H23N3O/c1-11(8-15)14(18)16-9-12-6-4-5-7-13(12)10-17(2)3/h4-7,11H,8-10,15H2,1-3H3,(H,16,18)
InChIKeyFXJJGDARPZEPNH-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.96
Rot. Bonds6

About 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide

3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide (PubChem CID 55104517) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide
PubChem CID55104517
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide
SMILESCC(CN)C(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C14H23N3O/c1-11(8-15)14(18)16-9-12-6-4-5-7-13(12)10-17(2)3/h4-7,11H,8-10,15H2,1-3H3,(H,16,18)
InChIKeyFXJJGDARPZEPNH-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
CID 65229042
(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 103813347
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119835483
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 61258455
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119835445
4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 61260959
2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine
CID 103387459
4-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide
CID 80542266
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide
CID 60607222
ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate
CID 60668726
methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate
CID 66172279
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea
CID 122565152

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide (CID 55104517) is 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide is CC(CN)C(=O)NCc1ccccc1CN(C)C.
What is the InChIKey of 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide?
The InChIKey is FXJJGDARPZEPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(8-15)14(18)16-9-12-6-4-5-7-13(12)10-17(2)3/h4-7,11H,8-10,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide?
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 55104517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).