1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine

C18H32N2O — CID 104660381

IUPAC1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine
SMILESCCCOc1ccccc1C(NCC)C(C)(CC)N(C)C
InChIInChI=1S/C18H32N2O/c1-7-14-21-16-13-11-10-12-15(16)17(19-9-3)18(4,8-2)20(5)6/h10-13,17,19H,7-9,14H2,1-6H3
InChIKeyFFVZLKMACMVZJN-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.86
Rot. Bonds9

About 1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine

1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine (PubChem CID 104660381) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine
PubChem CID104660381
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine
SMILESCCCOc1ccccc1C(NCC)C(C)(CC)N(C)C
InChIInChI=1S/C18H32N2O/c1-7-14-21-16-13-11-10-12-15(16)17(19-9-3)18(4,8-2)20(5)6/h10-13,17,19H,7-9,14H2,1-6H3
InChIKeyFFVZLKMACMVZJN-UHFFFAOYSA-N
XLogP3.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine
CID 79063158
N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
CID 104660013
N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035932
N-[phenyl-(2-propoxyphenyl)methyl]ethanamine
CID 104659888
1-(2-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761098
1-(1-benzothiophen-7-yl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 81154263
1-(2-propoxyphenyl)ethanol
CID 43503976
1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 115853596
1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
CID 63501142
N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine
CID 100555774
N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine
CID 104660529
N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine
CID 105035820

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine (CID 104660381) is 1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine is CCCOc1ccccc1C(NCC)C(C)(CC)N(C)C.
What is the InChIKey of 1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine?
The InChIKey is FFVZLKMACMVZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-7-14-21-16-13-11-10-12-15(16)17(19-9-3)18(4,8-2)20(5)6/h10-13,17,19H,7-9,14H2,1-6H3.
What are the key properties of 1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine?
1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine is sourced from PubChem (CID 104660381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).