1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine

C17H27NO — CID 116768003

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
SMILESCCOC1(C(N)Cc2ccccc2)CCCC(C)C1
InChIInChI=1S/C17H27NO/c1-3-19-17(11-7-8-14(2)13-17)16(18)12-15-9-5-4-6-10-15/h4-6,9-10,14,16H,3,7-8,11-13,18H2,1-2H3
InChIKeyOUQKUXZQRYTKPI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.54
Rot. Bonds5

About 1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine

1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine (PubChem CID 116768003) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
PubChem CID116768003
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
SMILESCCOC1(C(N)Cc2ccccc2)CCCC(C)C1
InChIInChI=1S/C17H27NO/c1-3-19-17(11-7-8-14(2)13-17)16(18)12-15-9-5-4-6-10-15/h4-6,9-10,14,16H,3,7-8,11-13,18H2,1-2H3
InChIKeyOUQKUXZQRYTKPI-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768047
2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768183
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 116768070
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348409
1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol
CID 116755271
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116768134
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 102619404
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
1-(1-ethoxy-3-methylcyclohexyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 116767958
1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine
CID 116767493
1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine
CID 116768130

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine (CID 116768003) is 1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine is CCOC1(C(N)Cc2ccccc2)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine?
The InChIKey is OUQKUXZQRYTKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-19-17(11-7-8-14(2)13-17)16(18)12-15-9-5-4-6-10-15/h4-6,9-10,14,16H,3,7-8,11-13,18H2,1-2H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine?
1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine is sourced from PubChem (CID 116768003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).