2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine

C17H27NO — CID 116723659

IUPAC2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine
SMILESCCNC(c1ccc(CC)cc1)C(OCC)C1CC1
InChIInChI=1S/C17H27NO/c1-4-13-7-9-14(10-8-13)16(18-5-2)17(19-6-3)15-11-12-15/h7-10,15-18H,4-6,11-12H2,1-3H3
InChIKeyOHDHJEZUQRZRNW-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.71
Rot. Bonds8

About 2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine

2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine (PubChem CID 116723659) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine
PubChem CID116723659
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine
SMILESCCNC(c1ccc(CC)cc1)C(OCC)C1CC1
InChIInChI=1S/C17H27NO/c1-4-13-7-9-14(10-8-13)16(18-5-2)17(19-6-3)15-11-12-15/h7-10,15-18H,4-6,11-12H2,1-3H3
InChIKeyOHDHJEZUQRZRNW-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine
CID 116716895
2-cyclopropyl-2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 116723795
[2-cyclopropyl-2-ethoxy-1-(4-propylphenyl)ethyl]hydrazine
CID 105272997
2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine
CID 116723604
2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 116723290
1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine
CID 116722412
3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723713
1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine
CID 116723613
2-cyclohexyl-2-ethoxy-N-ethyl-1-(furan-2-yl)ethanamine
CID 116772365
[2-cyclopropyl-1-(4-cyclopropyloxyphenyl)-2-ethoxyethyl]hydrazine
CID 105273041
1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723664
2-cyclopropyl-2-ethoxy-N-ethyl-1-quinolin-5-ylethanamine
CID 116723731

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine (CID 116723659) is 2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine is CCNC(c1ccc(CC)cc1)C(OCC)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine?
The InChIKey is OHDHJEZUQRZRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-13-7-9-14(10-8-13)16(18-5-2)17(19-6-3)15-11-12-15/h7-10,15-18H,4-6,11-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine?
2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.71, 8 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-ethyl-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 116723659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).