1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine

C15H22ClNO2 — CID 116723314

IUPAC1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine
SMILESCCOC(C1CC1)C(NC)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H22ClNO2/c1-4-19-15(10-5-6-10)14(17-2)11-7-8-12(16)13(9-11)18-3/h7-10,14-15,17H,4-6H2,1-3H3
InChIKeyVIYIWQAKYFXZRP-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.42
Rot. Bonds7

About 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine

1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine (PubChem CID 116723314) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine
PubChem CID116723314
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine
SMILESCCOC(C1CC1)C(NC)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H22ClNO2/c1-4-19-15(10-5-6-10)14(17-2)11-7-8-12(16)13(9-11)18-3/h7-10,14-15,17H,4-6H2,1-3H3
InChIKeyVIYIWQAKYFXZRP-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine
CID 116722171
2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 116723346
2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 116723290
2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine
CID 116723089
1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine
CID 80604128
2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 116723511
2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 116772276
1-(3,4-dimethoxyphenyl)-2-ethoxy-N-methylbutan-1-amine
CID 116716616
[2-cyclopropyl-2-ethoxy-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105272972
2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 116723469
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 79697209
1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine
CID 116723444

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine (CID 116723314) is 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine is CCOC(C1CC1)C(NC)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine?
The InChIKey is VIYIWQAKYFXZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-19-15(10-5-6-10)14(17-2)11-7-8-12(16)13(9-11)18-3/h7-10,14-15,17H,4-6H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine?
1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine has a molecular weight of 283.80 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine is sourced from PubChem (CID 116723314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).