1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone

C14H20ClNO2 — CID 62029774

IUPAC1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(CCCO)CC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-11(2)16(7-4-8-17)10-14(18)12-5-3-6-13(15)9-12/h3,5-6,9,11,17H,4,7-8,10H2,1-2H3
InChIKeyIFHOIGUKHSZBEX-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.62
Rot. Bonds7

About 1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone

1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone (PubChem CID 62029774) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
PubChem CID62029774
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(CCCO)CC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-11(2)16(7-4-8-17)10-14(18)12-5-3-6-13(15)9-12/h3,5-6,9,11,17H,4,7-8,10H2,1-2H3
InChIKeyIFHOIGUKHSZBEX-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone
CID 62030544
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-nitrophenyl)ethanone
CID 62029393
1-(3-chlorophenyl)-3-[propan-2-yl(propyl)amino]propan-1-one
CID 62630366
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428684
N-(3-bromopropyl)-3-chloro-N-propan-2-ylbenzamide
CID 80662095
1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796175
1-(2,4-dimethylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62031492
2-[2-hydroxyethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 62030140
1-(3-chlorophenyl)butane-1,3-dione
CID 15256966
1-(3-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795420
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone
CID 62030923

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone (CID 62029774) is 1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone is CC(C)N(CCCO)CC(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone?
The InChIKey is IFHOIGUKHSZBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11(2)16(7-4-8-17)10-14(18)12-5-3-6-13(15)9-12/h3,5-6,9,11,17H,4,7-8,10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone?
1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone has a molecular weight of 269.77 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 62029774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).