2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone

C16H23NO2 — CID 62031291

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CN(CCO)C2CC2)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)13-3-5-14(6-4-13)16(19)11-17(9-10-18)15-7-8-15/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyYEPYLKTXXPIENJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.45
Rot. Bonds7

About 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone

2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 62031291) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
PubChem CID62031291
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CN(CCO)C2CC2)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)13-3-5-14(6-4-13)16(19)11-17(9-10-18)15-7-8-15/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyYEPYLKTXXPIENJ-UHFFFAOYSA-N
XLogP2.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864528
2-[2-hydroxyethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 62030140
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62030145
1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone
CID 102864346
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(4-nitrophenyl)ethanone
CID 62035507
1-(3-bromo-4-methoxyphenyl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030716
2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone
CID 43795468
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62029955
2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone
CID 55001981
4-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]benzonitrile
CID 78974112
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62035518
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 104552733

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone (CID 62031291) is 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)CN(CCO)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is YEPYLKTXXPIENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)13-3-5-14(6-4-13)16(19)11-17(9-10-18)15-7-8-15/h3-6,12,15,18H,7-11H2,1-2H3.
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone?
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 62031291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).