N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide

C14H22N2O — CID 43248602

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide
SMILESCN(Cc1cccc(CN)c1)C(=O)C(C)(C)C
InChIInChI=1S/C14H22N2O/c1-14(2,3)13(17)16(4)10-12-7-5-6-11(8-12)9-15/h5-8H,9-10,15H2,1-4H3
InChIKeyFWOBGPSEHVTDJX-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.15
Rot. Bonds3

About N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide

N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide (PubChem CID 43248602) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide
PubChem CID43248602
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide
SMILESCN(Cc1cccc(CN)c1)C(=O)C(C)(C)C
InChIInChI=1S/C14H22N2O/c1-14(2,3)13(17)16(4)10-12-7-5-6-11(8-12)9-15/h5-8H,9-10,15H2,1-4H3
InChIKeyFWOBGPSEHVTDJX-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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]-2-methoxy-N,2-dimethylpropanamide
CID 103017302
N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 43248598
3-[3-[[2,2-dimethylpropanoyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76907618
N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide
CID 43248665
N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide
CID 43248613
N-[[3-(aminomethyl)phenyl]methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80743611
N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
CID 43248673
2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide
CID 43248742
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205359
4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide
CID 114285595
N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 43248666
1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea
CID 43437749

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide (CID 43248602) is N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide is CN(Cc1cccc(CN)c1)C(=O)C(C)(C)C.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide?
The InChIKey is FWOBGPSEHVTDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,3)13(17)16(4)10-12-7-5-6-11(8-12)9-15/h5-8H,9-10,15H2,1-4H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide?
N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.15, 3 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,2,2-trimethylpropanamide is sourced from PubChem (CID 43248602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).