1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine

C15H24N2O — CID 82946208

IUPAC1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine
SMILESC=CCOc1ccccc1CNC(C)CN(C)C
InChIInChI=1S/C15H24N2O/c1-5-10-18-15-9-7-6-8-14(15)11-16-13(2)12-17(3)4/h5-9,13,16H,1,10-12H2,2-4H3
InChIKeyZFYQVJIMYWDJTC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.29
Rot. Bonds8

About 1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine

1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine (PubChem CID 82946208) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine
PubChem CID82946208
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine
SMILESC=CCOc1ccccc1CNC(C)CN(C)C
InChIInChI=1S/C15H24N2O/c1-5-10-18-15-9-7-6-8-14(15)11-16-13(2)12-17(3)4/h5-9,13,16H,1,10-12H2,2-4H3
InChIKeyZFYQVJIMYWDJTC-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine 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

1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 43220851
4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 64604622
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
2-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945962
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]pentan-3-amine
CID 54954351
(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 8004461
N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine
CID 55097704
1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine
CID 82945948
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54950815
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine
CID 115866301

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine (CID 82946208) is 1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine is C=CCOc1ccccc1CNC(C)CN(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine?
The InChIKey is ZFYQVJIMYWDJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-10-18-15-9-7-6-8-14(15)11-16-13(2)12-17(3)4/h5-9,13,16H,1,10-12H2,2-4H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 82946208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).