[4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol

C17H27NO2 — CID 83974412

IUPAC[4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol
SMILESCCOc1ccccc1C(CN)C1CCC(CO)CC1
InChIInChI=1S/C17H27NO2/c1-2-20-17-6-4-3-5-15(17)16(11-18)14-9-7-13(12-19)8-10-14/h3-6,13-14,16,19H,2,7-12,18H2,1H3
InChIKeyZCRTZOFOXVHHCG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.93
Rot. Bonds6

About [4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol

[4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol (PubChem CID 83974412) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol
PubChem CID83974412
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol
SMILESCCOc1ccccc1C(CN)C1CCC(CO)CC1
InChIInChI=1S/C17H27NO2/c1-2-20-17-6-4-3-5-15(17)16(11-18)14-9-7-13(12-19)8-10-14/h3-6,13-14,16,19H,2,7-12,18H2,1H3
InChIKeyZCRTZOFOXVHHCG-UHFFFAOYSA-N
XLogP2.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 83974398
2-(2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine
CID 83974409
2-(2-ethoxyphenyl)-2-fluoroethanamine
CID 112562684
N-cyclopropyl-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43264757
N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43568904
methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate
CID 54894498
(2-ethoxyphenyl)-(4-methylcyclohexyl)methanol
CID 62801891
2-(cyclopropylmethoxy)-1-(2-ethoxyphenyl)ethanamine
CID 43211702
2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine
CID 83974493
2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol
CID 83974682
2-(5-tert-butyl-2-ethoxyphenyl)-2-(thian-4-yl)ethanamine
CID 83974980
[3-cyclopropyl-1-(2-ethoxyphenyl)propyl]hydrazine
CID 105260782

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol?
The IUPAC name of [4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol (CID 83974412) is [4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol?
The canonical SMILES for [4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol is CCOc1ccccc1C(CN)C1CCC(CO)CC1.
What is the InChIKey of [4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol?
The InChIKey is ZCRTZOFOXVHHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-20-17-6-4-3-5-15(17)16(11-18)14-9-7-13(12-19)8-10-14/h3-6,13-14,16,19H,2,7-12,18H2,1H3.
What are the key properties of [4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol?
[4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol has a molecular weight of 277.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-1-(2-ethoxyphenyl)ethyl]cyclohexyl]methanol is sourced from PubChem (CID 83974412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).