2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol

C16H25NO2 — CID 111755622

IUPAC2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(C(O)CNC(C)C2CC2)c1
InChIInChI=1S/C16H25NO2/c1-11(2)19-15-6-4-5-14(9-15)16(18)10-17-12(3)13-7-8-13/h4-6,9,11-13,16-18H,7-8,10H2,1-3H3
InChIKeyRYETVBBCVGROJL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.90
Rot. Bonds7

About 2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol

2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol (PubChem CID 111755622) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol
PubChem CID111755622
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(C(O)CNC(C)C2CC2)c1
InChIInChI=1S/C16H25NO2/c1-11(2)19-15-6-4-5-14(9-15)16(18)10-17-12(3)13-7-8-13/h4-6,9,11-13,16-18H,7-8,10H2,1-3H3
InChIKeyRYETVBBCVGROJL-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol
CID 115894712
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 110922419
1-(3-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanol
CID 105117357
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373
2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 119792549
1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol
CID 81393437
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450793
2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 111423733
2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol
CID 81390203
cyclooctyl-(3-propan-2-yloxyphenyl)methanol
CID 80604146
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
1-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119792524

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol (CID 111755622) is 2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol is CC(C)Oc1cccc(C(O)CNC(C)C2CC2)c1.
What is the InChIKey of 2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol?
The InChIKey is RYETVBBCVGROJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)19-15-6-4-5-14(9-15)16(18)10-17-12(3)13-7-8-13/h4-6,9,11-13,16-18H,7-8,10H2,1-3H3.
What are the key properties of 2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol?
2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 111755622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).