1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine

C16H28N2O — CID 116908524

IUPAC1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine
SMILESCCc1cc(C(N(C)C)C(C)(C)NC)ccc1OC
InChIInChI=1S/C16H28N2O/c1-8-12-11-13(9-10-14(12)19-7)15(18(5)6)16(2,3)17-4/h9-11,15,17H,8H2,1-7H3
InChIKeyHXTUGPWLRONRJS-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.86
Rot. Bonds6

About 1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine

1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine (PubChem CID 116908524) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine
PubChem CID116908524
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine
SMILESCCc1cc(C(N(C)C)C(C)(C)NC)ccc1OC
InChIInChI=1S/C16H28N2O/c1-8-12-11-13(9-10-14(12)19-7)15(18(5)6)16(2,3)17-4/h9-11,15,17H,8H2,1-7H3
InChIKeyHXTUGPWLRONRJS-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904678
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid
CID 82473167
1-(2,4-dimethoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine
CID 116908516
methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116856998
3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116907304
1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol
CID 82281977
1-(2-methoxy-5-propan-2-ylphenyl)-N,2-dimethylpropan-2-amine
CID 94686610
2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide
CID 116845766
ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961319
4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile
CID 112508618

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine?
The IUPAC name of 1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine (CID 116908524) is 1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine.
What is the SMILES notation for 1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine?
The canonical SMILES for 1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine is CCc1cc(C(N(C)C)C(C)(C)NC)ccc1OC.
What is the InChIKey of 1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine?
The InChIKey is HXTUGPWLRONRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-8-12-11-13(9-10-14(12)19-7)15(18(5)6)16(2,3)17-4/h9-11,15,17H,8H2,1-7H3.
What are the key properties of 1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine?
1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine is sourced from PubChem (CID 116908524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).