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

C13H21N3O — CID 61258455

IUPAC3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
SMILESCN(C)Cc1ccccc1CNC(=O)CCN
InChIInChI=1S/C13H21N3O/c1-16(2)10-12-6-4-3-5-11(12)9-15-13(17)7-8-14/h3-6H,7-10,14H2,1-2H3,(H,15,17)
InChIKeyXFZCECTVOQBRLB-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.71
Rot. Bonds6

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

3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide (PubChem CID 61258455) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
PubChem CID61258455
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
SMILESCN(C)Cc1ccccc1CNC(=O)CCN
InChIInChI=1S/C13H21N3O/c1-16(2)10-12-6-4-3-5-11(12)9-15-13(17)7-8-14/h3-6H,7-10,14H2,1-2H3,(H,15,17)
InChIKeyXFZCECTVOQBRLB-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 61260959
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119835483
3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 46578246
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide
CID 55104517
2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
CID 65229042
ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate
CID 60668726
N-[2-[[2-[(dimethylamino)methyl]phenyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31563060
2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 64609566
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea
CID 122565152
5-[[2-[(dimethylamino)methyl]phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62964535
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide
CID 79814762
(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 103813347

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide (CID 61258455) is 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide is CN(C)Cc1ccccc1CNC(=O)CCN.
What is the InChIKey of 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The InChIKey is XFZCECTVOQBRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(2)10-12-6-4-3-5-11(12)9-15-13(17)7-8-14/h3-6H,7-10,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide?
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide has a molecular weight of 235.33 g/mol, XLogP of 0.71, 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]propanamide is sourced from PubChem (CID 61258455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).