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

C14H22N2O2 — CID 103017302

IUPACN-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide
SMILESCOC(C)(C)C(=O)N(C)Cc1cccc(CN)c1
InChIInChI=1S/C14H22N2O2/c1-14(2,18-4)13(17)16(3)10-12-7-5-6-11(8-12)9-15/h5-8H,9-10,15H2,1-4H3
InChIKeyOUAFWNLWMCXPCX-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.53
Rot. Bonds5

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

N-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide (PubChem CID 103017302) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide
PubChem CID103017302
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide
SMILESCOC(C)(C)C(=O)N(C)Cc1cccc(CN)c1
InChIInChI=1S/C14H22N2O2/c1-14(2,18-4)13(17)16(3)10-12-7-5-6-11(8-12)9-15/h5-8H,9-10,15H2,1-4H3
InChIKeyOUAFWNLWMCXPCX-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide
CID 43248602
N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 43248598
N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide
CID 43248665
4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide
CID 114285595
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205359
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide
CID 114290441
N-[[3-(aminomethyl)phenyl]methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80743611
N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide
CID 43248613
N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
CID 43248673
2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide
CID 43248742
N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
CID 103017662
N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 43248666

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide (CID 103017302) is N-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide is COC(C)(C)C(=O)N(C)Cc1cccc(CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide?
The InChIKey is OUAFWNLWMCXPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,18-4)13(17)16(3)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]-2-methoxy-N,2-dimethylpropanamide?
N-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide is sourced from PubChem (CID 103017302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).