2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone

C14H19NO2 — CID 62030145

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CN(CCO)C2CC2)c1
InChIInChI=1S/C14H19NO2/c1-11-3-2-4-12(9-11)14(17)10-15(7-8-16)13-5-6-13/h2-4,9,13,16H,5-8,10H2,1H3
InChIKeyOWTCKTDWYAGKDD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.63
Rot. Bonds6

About 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone

2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone (PubChem CID 62030145) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
PubChem CID62030145
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CN(CCO)C2CC2)c1
InChIInChI=1S/C14H19NO2/c1-11-3-2-4-12(9-11)14(17)10-15(7-8-16)13-5-6-13/h2-4,9,13,16H,5-8,10H2,1H3
InChIKeyOWTCKTDWYAGKDD-UHFFFAOYSA-N
XLogP1.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone
CID 43795533
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 62031291
1-(3-bromo-4-methoxyphenyl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030716
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62029955
2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62052086
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794974
2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 102864574
2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone
CID 78974150
1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864528
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone
CID 62030544
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
CID 62031099

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone (CID 62030145) is 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)CN(CCO)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone?
The InChIKey is OWTCKTDWYAGKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-3-2-4-12(9-11)14(17)10-15(7-8-16)13-5-6-13/h2-4,9,13,16H,5-8,10H2,1H3.
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone?
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 1.63, 6 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-(3-methylphenyl)ethanone is sourced from PubChem (CID 62030145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).