1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine

C18H29NO2 — CID 114519795

IUPAC1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
SMILESCCCC(OCC)C(NCC)c1ccc(OC2CC2)cc1
InChIInChI=1S/C18H29NO2/c1-4-7-17(20-6-3)18(19-5-2)14-8-10-15(11-9-14)21-16-12-13-16/h8-11,16-19H,4-7,12-13H2,1-3H3
InChIKeySHEFUYIGCLTMPP-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.08
Rot. Bonds10

About 1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine

1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine (PubChem CID 114519795) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
PubChem CID114519795
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
SMILESCCCC(OCC)C(NCC)c1ccc(OC2CC2)cc1
InChIInChI=1S/C18H29NO2/c1-4-7-17(20-6-3)18(19-5-2)14-8-10-15(11-9-14)21-16-12-13-16/h8-11,16-19H,4-7,12-13H2,1-3H3
InChIKeySHEFUYIGCLTMPP-UHFFFAOYSA-N
XLogP4.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine
CID 114522243
2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine
CID 116717020
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine
CID 116718350
[2-cyclopropyl-1-(4-cyclopropyloxyphenyl)-2-ethoxyethyl]hydrazine
CID 105273041
(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007263
1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114519577
2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine
CID 116716895
[2-ethoxy-1-(4-propan-2-yloxyphenyl)pentyl]hydrazine
CID 105271540
1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 105051444
1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718117
2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine
CID 116717966

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine (CID 114519795) is 1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine is CCCC(OCC)C(NCC)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine?
The InChIKey is SHEFUYIGCLTMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-7-17(20-6-3)18(19-5-2)14-8-10-15(11-9-14)21-16-12-13-16/h8-11,16-19H,4-7,12-13H2,1-3H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine?
1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine is sourced from PubChem (CID 114519795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).