1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine

C17H30N2O — CID 79052774

IUPAC1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
SMILESCCOc1ccc(C(NC)C(C)(C)N(CC)CC)cc1
InChIInChI=1S/C17H30N2O/c1-7-19(8-2)17(4,5)16(18-6)14-10-12-15(13-11-14)20-9-3/h10-13,16,18H,7-9H2,1-6H3
InChIKeyHLXXNMPVIKMVJN-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.47
Rot. Bonds8

About 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine

1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 79052774) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
PubChem CID79052774
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
SMILESCCOc1ccc(C(NC)C(C)(C)N(CC)CC)cc1
InChIInChI=1S/C17H30N2O/c1-7-19(8-2)17(4,5)16(18-6)14-10-12-15(13-11-14)20-9-3/h10-13,16,18H,7-9H2,1-6H3
InChIKeyHLXXNMPVIKMVJN-UHFFFAOYSA-N
XLogP3.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 79047766
1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79056752
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646
1-(4-cyclopropyloxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 105239235
1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 105146068
1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79069053
1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 43481938
1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43489403
1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine
CID 80604791
1-(1-chloro-2,2-dimethylpropyl)-4-ethoxybenzene
CID 63429151
1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719782
1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761096

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine (CID 79052774) is 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine is CCOc1ccc(C(NC)C(C)(C)N(CC)CC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is HLXXNMPVIKMVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-7-19(8-2)17(4,5)16(18-6)14-10-12-15(13-11-14)20-9-3/h10-13,16,18H,7-9H2,1-6H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine?
1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 79052774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).