N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide

C12H18N2O — CID 82507167

IUPACN-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1CN
InChIInChI=1S/C12H18N2O/c1-8(2)12(15)14-11-5-4-9(3)10(6-11)7-13/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyGLBUDHZWTFQSTG-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.05
Rot. Bonds3

About N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide

N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide (PubChem CID 82507167) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
PubChem CID82507167
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1CN
InChIInChI=1S/C12H18N2O/c1-8(2)12(15)14-11-5-4-9(3)10(6-11)7-13/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyGLBUDHZWTFQSTG-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

N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
N-[5-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-2-methylphenyl]-2-methylpropanamide
CID 131943184
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 47041621
2-methyl-3-(methylamino)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]propanamide
CID 119725778
N-[2-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
CID 82507184
2-methyl-4-(2-methylpropanoylamino)benzoate
CID 22303277
3-amino-N-(3-ethyl-4-methylphenyl)butanamide
CID 120874215
3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide
CID 62671199
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide
CID 34169606
2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide
CID 115376625
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide
CID 63755309

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide (CID 82507167) is N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide is Cc1ccc(NC(=O)C(C)C)cc1CN.
What is the InChIKey of N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide?
The InChIKey is GLBUDHZWTFQSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)12(15)14-11-5-4-9(3)10(6-11)7-13/h4-6,8H,7,13H2,1-3H3,(H,14,15).
What are the key properties of N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide?
N-[3-(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-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 82507167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).