2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine

C11H14N2O2 — CID 62331333

IUPAC2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine
SMILESC=C(C)CNCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O2/c1-9(2)7-12-8-10-3-5-11(6-4-10)13(14)15/h3-6,12H,1,7-8H2,2H3
InChIKeyWDMOGMQQXZCAPY-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.26
Rot. Bonds5

About 2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine

2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine (PubChem CID 62331333) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine
PubChem CID62331333
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine
SMILESC=C(C)CNCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O2/c1-9(2)7-12-8-10-3-5-11(6-4-10)13(14)15/h3-6,12H,1,7-8H2,2H3
InChIKeyWDMOGMQQXZCAPY-UHFFFAOYSA-N
XLogP2.26
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(3-nitrophenyl)methyl]prop-2-en-1-amine
CID 62504529
N-methyl-2-[(4-nitrophenyl)methylamino]acetamide
CID 43214518
2-methyl-N-[(4-methyl-3-nitrophenyl)methyl]prop-2-en-1-amine
CID 114615877
2-[(4-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 43399991
N-[(2-bromo-4-nitrophenyl)methyl]-2-methylprop-2-en-1-amine
CID 114616781
1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride
CID 17332527
N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 20518349
2,2-dimethyl-N-[(4-nitrophenyl)methyl]propan-1-amine
CID 61167196
N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide
CID 61488726
N-[(3,5-dimethylphenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 61030106
N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide
CID 60691812
N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride
CID 86662371

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine (CID 62331333) is 2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine is C=C(C)CNCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine?
The InChIKey is WDMOGMQQXZCAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-9(2)7-12-8-10-3-5-11(6-4-10)13(14)15/h3-6,12H,1,7-8H2,2H3.
What are the key properties of 2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine?
2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine has a molecular weight of 206.24 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 62331333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).