N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide

C14H22N2O — CID 43248665

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)Cc1cccc(CN)c1
InChIInChI=1S/C14H22N2O/c1-11(2)7-14(17)16(3)10-13-6-4-5-12(8-13)9-15/h4-6,8,11H,7,9-10,15H2,1-3H3
InChIKeyAEFLLEYZDSNJRW-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.15
Rot. Bonds5

About N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide

N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide (PubChem CID 43248665) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide
PubChem CID43248665
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)Cc1cccc(CN)c1
InChIInChI=1S/C14H22N2O/c1-11(2)7-14(17)16(3)10-13-6-4-5-12(8-13)9-15/h4-6,8,11H,7,9-10,15H2,1-3H3
InChIKeyAEFLLEYZDSNJRW-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide
CID 43248613
N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 43248598
3-[3-[[methyl(3-methylbutanoyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76907706
N-[[3-(aminomethyl)phenyl]methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80743611
N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide
CID 43248602
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205359
3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 120873575
5-[(3-bromophenyl)methyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 55155222
N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
CID 43248673
N-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide
CID 103017302
3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119737530
2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide
CID 43248742

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide (CID 43248665) is N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide is CC(C)CC(=O)N(C)Cc1cccc(CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide?
The InChIKey is AEFLLEYZDSNJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)7-14(17)16(3)10-13-6-4-5-12(8-13)9-15/h4-6,8,11H,7,9-10,15H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide?
N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 43248665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).