1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine

C17H27NO2 — CID 116723635

IUPAC1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine
SMILESCCNC(Cc1ccccc1OC)C(OCC)C1CC1
InChIInChI=1S/C17H27NO2/c1-4-18-15(17(20-5-2)13-10-11-13)12-14-8-6-7-9-16(14)19-3/h6-9,13,15,17-18H,4-5,10-12H2,1-3H3
InChIKeyLWSVORYQAHPOBU-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.03
Rot. Bonds9

About 1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine

1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine (PubChem CID 116723635) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine
PubChem CID116723635
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine
SMILESCCNC(Cc1ccccc1OC)C(OCC)C1CC1
InChIInChI=1S/C17H27NO2/c1-4-18-15(17(20-5-2)13-10-11-13)12-14-8-6-7-9-16(14)19-3/h6-9,13,15,17-18H,4-5,10-12H2,1-3H3
InChIKeyLWSVORYQAHPOBU-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723625
3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116721401
3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 102619358
1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723730
1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 116723827
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723713
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116720261
1-cyclopropyl-N-ethyl-3-(2-methoxyphenyl)propan-1-amine
CID 63354961
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 116724723
1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723632
[3-cyclopropyl-1-(2-methoxyphenyl)butan-2-yl]hydrazine
CID 105289407

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine (CID 116723635) is 1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine is CCNC(Cc1ccccc1OC)C(OCC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine?
The InChIKey is LWSVORYQAHPOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-18-15(17(20-5-2)13-10-11-13)12-14-8-6-7-9-16(14)19-3/h6-9,13,15,17-18H,4-5,10-12H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine?
1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 116723635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).