1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine

C17H28N2O — CID 114519557

IUPAC1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCCNC(c1ccc(OC2CC2)cc1)C(C)(C)N(C)C
InChIInChI=1S/C17H28N2O/c1-6-18-16(17(2,3)19(4)5)13-7-9-14(10-8-13)20-15-11-12-15/h7-10,15-16,18H,6,11-12H2,1-5H3
InChIKeyWKPVMOXNOXZHOQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds7

About 1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine

1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 114519557) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID114519557
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCCNC(c1ccc(OC2CC2)cc1)C(C)(C)N(C)C
InChIInChI=1S/C17H28N2O/c1-6-18-16(17(2,3)19(4)5)13-7-9-14(10-8-13)20-15-11-12-15/h7-10,15-16,18H,6,11-12H2,1-5H3
InChIKeyWKPVMOXNOXZHOQ-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 114519558
1-N-ethyl-2-N,2-N,2-trimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 79054197
1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114519571
1-(4-cyclopropyloxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 105239235
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007263
1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114519577
1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 105051444
N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 114519196
1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 114519795
N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114519344
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 114519557) is 1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine is CCNC(c1ccc(OC2CC2)cc1)C(C)(C)N(C)C.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is WKPVMOXNOXZHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-18-16(17(2,3)19(4)5)13-7-9-14(10-8-13)20-15-11-12-15/h7-10,15-16,18H,6,11-12H2,1-5H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 114519557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).