N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine

C15H27N3O — CID 84749573

IUPACN-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCOc1cc(CNCCN(C)C)ccc1N(C)C
InChIInChI=1S/C15H27N3O/c1-6-19-15-11-13(7-8-14(15)18(4)5)12-16-9-10-17(2)3/h7-8,11,16H,6,9-10,12H2,1-5H3
InChIKeyMKELTZMUKGXOEJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.80
Rot. Bonds8

About N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine

N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 84749573) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID84749573
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCOc1cc(CNCCN(C)C)ccc1N(C)C
InChIInChI=1S/C15H27N3O/c1-6-19-15-11-13(7-8-14(15)18(4)5)12-16-9-10-17(2)3/h7-8,11,16H,6,9-10,12H2,1-5H3
InChIKeyMKELTZMUKGXOEJ-UHFFFAOYSA-N
XLogP1.80
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline
CID 84749569
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294947
N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
CID 84749591
N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 84754259
N-tert-butyl-2-[4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide
CID 4721024
3-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]propanoic acid
CID 84749809
2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol
CID 39291383
N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720681
3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 92921079
2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid
CID 84749434
N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide
CID 84749361
N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
CID 84749081

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine (CID 84749573) is N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine is CCOc1cc(CNCCN(C)C)ccc1N(C)C.
What is the InChIKey of N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is MKELTZMUKGXOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-6-19-15-11-13(7-8-14(15)18(4)5)12-16-9-10-17(2)3/h7-8,11,16H,6,9-10,12H2,1-5H3.
What are the key properties of N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 84749573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).