1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine

C14H24N2O — CID 107505630

IUPAC1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine
SMILESCCN(CC(COC)NC)c1ccc(C)cc1
InChIInChI=1S/C14H24N2O/c1-5-16(10-13(15-3)11-17-4)14-8-6-12(2)7-9-14/h6-9,13,15H,5,10-11H2,1-4H3
InChIKeyHBICXUIYAZUXGY-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.06
Rot. Bonds7

About 1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine

1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine (PubChem CID 107505630) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine
PubChem CID107505630
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine
SMILESCCN(CC(COC)NC)c1ccc(C)cc1
InChIInChI=1S/C14H24N2O/c1-5-16(10-13(15-3)11-17-4)14-8-6-12(2)7-9-14/h6-9,13,15H,5,10-11H2,1-4H3
InChIKeyHBICXUIYAZUXGY-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-N-ethyl-1-N-(4-fluorophenyl)-2-N-methylpentane-1,2-diamine
CID 62041448
1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine
CID 62044666
1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine
CID 107508710
N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 62437274
1-N-ethyl-2-methyl-1-N-(4-methylphenyl)heptane-1,6-diamine
CID 65296088
ethyl 4-(N-ethyl-4-methylanilino)-3-hydroxybutanoate
CID 82771038
N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline
CID 82714297
N-cyclopropyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 62437096
3-methoxy-1-N,2-N-dimethyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 107505411
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 107505986
1,3-dimethoxy-N-methylpropan-2-amine;ethane
CID 171819113
1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 63470194

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine (CID 107505630) is 1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine is CCN(CC(COC)NC)c1ccc(C)cc1.
What is the InChIKey of 1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine?
The InChIKey is HBICXUIYAZUXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-16(10-13(15-3)11-17-4)14-8-6-12(2)7-9-14/h6-9,13,15H,5,10-11H2,1-4H3.
What are the key properties of 1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine?
1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 107505630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).