1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine

C17H27NO2 — CID 114522301

IUPAC1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1cccc(OC2CC2)c1)C(C)(CC)OC
InChIInChI=1S/C17H27NO2/c1-5-17(3,19-4)16(18-6-2)13-8-7-9-15(12-13)20-14-10-11-14/h7-9,12,14,16,18H,5-6,10-11H2,1-4H3
InChIKeySJKXSZRMXAALOF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.69
Rot. Bonds8

About 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine

1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine (PubChem CID 114522301) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
PubChem CID114522301
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1cccc(OC2CC2)c1)C(C)(CC)OC
InChIInChI=1S/C17H27NO2/c1-5-17(3,19-4)16(18-6-2)13-8-7-9-15(12-13)20-14-10-11-14/h7-9,12,14,16,18H,5-6,10-11H2,1-4H3
InChIKeySJKXSZRMXAALOF-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 114521755
1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 114521578
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
CID 114521821
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728
N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 114521545
1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105051932
1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine
CID 105051843
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191373
N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 114521537
1-(3-cyclopropyloxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547261

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine (CID 114522301) is 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine is CCNC(c1cccc(OC2CC2)c1)C(C)(CC)OC.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The InChIKey is SJKXSZRMXAALOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-17(3,19-4)16(18-6-2)13-8-7-9-15(12-13)20-14-10-11-14/h7-9,12,14,16,18H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 114522301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).