4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide

C14H23N3O — CID 61260959

IUPAC4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
SMILESCN(C)Cc1ccccc1CNC(=O)CCCN
InChIInChI=1S/C14H23N3O/c1-17(2)11-13-7-4-3-6-12(13)10-16-14(18)8-5-9-15/h3-4,6-7H,5,8-11,15H2,1-2H3,(H,16,18)
InChIKeyFFEBDDBLLBIPOH-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.10
Rot. Bonds7

About 4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide

4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide (PubChem CID 61260959) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
PubChem CID61260959
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
SMILESCN(C)Cc1ccccc1CNC(=O)CCCN
InChIInChI=1S/C14H23N3O/c1-17(2)11-13-7-4-3-6-12(13)10-16-14(18)8-5-9-15/h3-4,6-7H,5,8-11,15H2,1-2H3,(H,16,18)
InChIKeyFFEBDDBLLBIPOH-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 61258455
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119835483
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
CID 65229042
4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850383
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
7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
CID 60924992
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
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 119320252

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide (CID 61260959) is 4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide is CN(C)Cc1ccccc1CNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide?
The InChIKey is FFEBDDBLLBIPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17(2)11-13-7-4-3-6-12(13)10-16-14(18)8-5-9-15/h3-4,6-7H,5,8-11,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide?
4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide has a molecular weight of 249.36 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide is sourced from PubChem (CID 61260959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).