2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine

C17H30N2O — CID 106680712

IUPAC2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(N)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H30N2O/c1-8-19(9-2)17(5,6)16(18)15-13(4)10-12(3)11-14(15)20-7/h10-11,16H,8-9,18H2,1-7H3
InChIKeyPQGHQBDXTMKEHQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.43
Rot. Bonds6

About 2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine

2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine (PubChem CID 106680712) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine
PubChem CID106680712
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(N)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H30N2O/c1-8-19(9-2)17(5,6)16(18)15-13(4)10-12(3)11-14(15)20-7/h10-11,16H,8-9,18H2,1-7H3
InChIKeyPQGHQBDXTMKEHQ-UHFFFAOYSA-N
XLogP3.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine
CID 106680723
1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 106682260
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine
CID 116945508
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
[1-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutyl]hydrazine
CID 106682971
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116934935
1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 106680717
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 116946510
2-N,2-N-diethyl-1-(3-fluoro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 79052974
(1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106682077
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropan-1-amine
CID 106680743

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine (CID 106680712) is 2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine is CCN(CC)C(C)(C)C(N)c1c(C)cc(C)cc1OC.
What is the InChIKey of 2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine?
The InChIKey is PQGHQBDXTMKEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-8-19(9-2)17(5,6)16(18)15-13(4)10-12(3)11-14(15)20-7/h10-11,16H,8-9,18H2,1-7H3.
What are the key properties of 2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine?
2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 106680712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).