1-(2-chlorophenyl)-2-(octylamino)ethanol

C16H26ClNO — CID 115567759

IUPAC1-(2-chlorophenyl)-2-(octylamino)ethanol
SMILESCCCCCCCCNCC(O)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO/c1-2-3-4-5-6-9-12-18-13-16(19)14-10-7-8-11-15(14)17/h7-8,10-11,16,18-19H,2-6,9,12-13H2,1H3
InChIKeyYOXIHHLDJHEDFJ-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.32
Rot. Bonds10

About 1-(2-chlorophenyl)-2-(octylamino)ethanol

1-(2-chlorophenyl)-2-(octylamino)ethanol (PubChem CID 115567759) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(octylamino)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(octylamino)ethanol
PubChem CID115567759
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(2-chlorophenyl)-2-(octylamino)ethanol
SMILESCCCCCCCCNCC(O)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO/c1-2-3-4-5-6-9-12-18-13-16(19)14-10-7-8-11-15(14)17/h7-8,10-11,16,18-19H,2-6,9,12-13H2,1H3
InChIKeyYOXIHHLDJHEDFJ-UHFFFAOYSA-N
XLogP4.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol
CID 113287471
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
1-(2-chlorophenyl)-N,N-diethyl-N'-octylethane-1,2-diamine
CID 110827062
(1S)-2-(hexylamino)-1-phenylethanol
CID 102581936
1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol
CID 79749123
1-(2-chlorophenyl)-2-(3-methylsulfanylbutylamino)ethanol
CID 113493949
1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol
CID 114488975
3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol
CID 106115231
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol
CID 60898219
1-(3-fluorophenyl)-2-(octylamino)ethanol
CID 115567782

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(octylamino)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(octylamino)ethanol (CID 115567759) is 1-(2-chlorophenyl)-2-(octylamino)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(octylamino)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(octylamino)ethanol is CCCCCCCCNCC(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(octylamino)ethanol?
The InChIKey is YOXIHHLDJHEDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-2-3-4-5-6-9-12-18-13-16(19)14-10-7-8-11-15(14)17/h7-8,10-11,16,18-19H,2-6,9,12-13H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-(octylamino)ethanol?
1-(2-chlorophenyl)-2-(octylamino)ethanol has a molecular weight of 283.84 g/mol, XLogP of 4.32, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(octylamino)ethanol is sourced from PubChem (CID 115567759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).