N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide

C11H14N2O — CID 82504711

IUPACN-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CN)c(C)c1
InChIInChI=1S/C11H14N2O/c1-3-11(14)13-10-5-4-9(7-12)8(2)6-10/h3-6H,1,7,12H2,2H3,(H,13,14)
InChIKeyUQXZNAOZFCOOPN-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.58
Rot. Bonds3

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

N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide (PubChem CID 82504711) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide
PubChem CID82504711
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CN)c(C)c1
InChIInChI=1S/C11H14N2O/c1-3-11(14)13-10-5-4-9(7-12)8(2)6-10/h3-6H,1,7,12H2,2H3,(H,13,14)
InChIKeyUQXZNAOZFCOOPN-UHFFFAOYSA-N
XLogP1.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(aminomethyl)-4,5-dimethylphenyl]prop-2-enamide
CID 82506736
N-(4-amino-3-methylphenyl)prop-2-enamide
CID 90104581
N-[4-(aminomethyl)phenyl]prop-2-enamide
CID 82503451
N-[3-(aminomethyl)-5-methylphenyl]prop-2-enamide
CID 131209369
2-amino-N-(4-ethyl-3-methylphenyl)acetamide
CID 130495605
N-(4-acetyl-3,5-dimethylphenyl)prop-2-enamide
CID 139018868
[2-[(dimethylamino)methyl]-5-(prop-2-enoylamino)phenyl]boronic acid
CID 46739539
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
4-(aminomethyl)-3-methyl-N-propylaniline
CID 81273118
N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
CID 82507167
2-[4-(aminomethyl)-3-methylanilino]propan-1-ol
CID 81273349
methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide?
The IUPAC name of N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide (CID 82504711) is N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide?
The canonical SMILES for N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide is C=CC(=O)Nc1ccc(CN)c(C)c1.
What is the InChIKey of N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide?
The InChIKey is UQXZNAOZFCOOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-11(14)13-10-5-4-9(7-12)8(2)6-10/h3-6H,1,7,12H2,2H3,(H,13,14).
What are the key properties of N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide?
N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide has a molecular weight of 190.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide is sourced from PubChem (CID 82504711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).