2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine

C17H27NO — CID 116723290

IUPAC2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCOC(C1CC1)C(NC)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO/c1-5-19-17(15-10-11-15)16(18-4)14-8-6-13(7-9-14)12(2)3/h6-9,12,15-18H,5,10-11H2,1-4H3
InChIKeySMWMPCWNUOOILN-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.89
Rot. Bonds7

About 2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine

2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 116723290) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID116723290
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCOC(C1CC1)C(NC)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO/c1-5-19-17(15-10-11-15)16(18-4)14-8-6-13(7-9-14)12(2)3/h6-9,12,15-18H,5,10-11H2,1-4H3
InChIKeySMWMPCWNUOOILN-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine
CID 116723314
2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 116723346
2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 116723511
2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 116721056
[1-cyclopropyl-1-ethoxy-3-(4-propan-2-ylphenyl)propan-2-yl]hydrazine
CID 105272958
2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 116723469
2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 116723659
2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 116772313
N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 43625326
2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 116772276
N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 116722720
[2-cyclopropyl-2-ethoxy-1-(4-propylphenyl)ethyl]hydrazine
CID 105272997

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine (CID 116723290) is 2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine is CCOC(C1CC1)C(NC)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is SMWMPCWNUOOILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-19-17(15-10-11-15)16(18-4)14-8-6-13(7-9-14)12(2)3/h6-9,12,15-18H,5,10-11H2,1-4H3.
What are the key properties of 2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 116723290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).