2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide

C11H17N3O — CID 110480064

IUPAC2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C11H17N3O/c1-11(2,13)10(15)14-9-5-3-8(7-12)4-6-9/h3-6H,7,12-13H2,1-2H3,(H,14,15)
InChIKeyFVLJVYLWGBKXCZ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.82
Rot. Bonds3

About 2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide

2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide (PubChem CID 110480064) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide
PubChem CID110480064
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C11H17N3O/c1-11(2,13)10(15)14-9-5-3-8(7-12)4-6-9/h3-6H,7,12-13H2,1-2H3,(H,14,15)
InChIKeyFVLJVYLWGBKXCZ-UHFFFAOYSA-N
XLogP0.82
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 61265996
2-amino-N-(4-butylphenyl)-2-methylpropanamide
CID 61267154
2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 110460952
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029
2-amino-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 61265174
N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide
CID 61267036
2-amino-2-methyl-N-(4-methylsulfonylphenyl)propanamide
CID 61264590
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide
CID 81329339
2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119285117

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide (CID 110480064) is 2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide is CC(C)(N)C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of 2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide?
The InChIKey is FVLJVYLWGBKXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(2,13)10(15)14-9-5-3-8(7-12)4-6-9/h3-6H,7,12-13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide?
2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide has a molecular weight of 207.28 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 110480064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).