N-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide

C12H18N2O — CID 82507184

IUPACN-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)c(CN)c1
InChIInChI=1S/C12H18N2O/c1-8(2)12(15)14-11-5-4-9(3)6-10(11)7-13/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyJACWQOCZCSBBKO-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.05
Rot. Bonds3

About N-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide

N-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide (PubChem CID 82507184) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
PubChem CID82507184
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)c(CN)c1
InChIInChI=1S/C12H18N2O/c1-8(2)12(15)14-11-5-4-9(3)6-10(11)7-13/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyJACWQOCZCSBBKO-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
2-(aminomethyl)-N,4-dimethylaniline
CID 82502533
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylpropanamide
CID 60803475
N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide
CID 16793258
N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
CID 82507167
3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide
CID 62670664
N-(2-ethyl-4-methylphenyl)acetamide
CID 89198969
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
(2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide
CID 40788863
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylpropanamide
CID 82767041
(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide
CID 127013339
N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide
CID 16772806

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide (CID 82507184) is N-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide is Cc1ccc(NC(=O)C(C)C)c(CN)c1.
What is the InChIKey of N-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide?
The InChIKey is JACWQOCZCSBBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)12(15)14-11-5-4-9(3)6-10(11)7-13/h4-6,8H,7,13H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide?
N-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide has a molecular weight of 206.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 82507184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).