N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide

C12H18N2O — CID 28755580

IUPACN-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1ccc(CN)cc1
InChIInChI=1S/C12H18N2O/c1-9(2)12(15)14(3)11-6-4-10(8-13)5-7-11/h4-7,9H,8,13H2,1-3H3
InChIKeyKFBPOIOEGNXDSU-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.76
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide

N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide (PubChem CID 28755580) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
PubChem CID28755580
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1ccc(CN)cc1
InChIInChI=1S/C12H18N2O/c1-9(2)12(15)14(3)11-6-4-10(8-13)5-7-11/h4-7,9H,8,13H2,1-3H3
InChIKeyKFBPOIOEGNXDSU-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-methylpropanehydrazide
CID 174490101
N-[4-(2-hydrazinylethyl)phenyl]-N,2-dimethylpropanamide
CID 144916183
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 60921311
2-[4-(aminomethyl)phenyl]-N-methyl-N-(4-methylphenyl)acetamide
CID 63590516
N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide
CID 28755638
N-(4-formylphenyl)-N,2-dimethylpropanamide
CID 142058328
1-[4-(aminomethyl)phenyl]-1-methylthiourea
CID 174434735
N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide
CID 43275962
N-[4-(aminomethyl)phenyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 28755644
N-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide
CID 43275430
(2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide
CID 104903373
N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide
CID 28755474

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide (CID 28755580) is N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide?
The InChIKey is KFBPOIOEGNXDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)12(15)14(3)11-6-4-10(8-13)5-7-11/h4-7,9H,8,13H2,1-3H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide?
N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide has a molecular weight of 206.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 28755580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).