1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol

C14H21Cl2NO — CID 62118576

IUPAC1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol
SMILESCCCC(CC)NCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-3-5-11(4-2)17-9-14(18)12-8-10(15)6-7-13(12)16/h6-8,11,14,17-18H,3-5,9H2,1-2H3
InChIKeyODTAOFKUTYJFGK-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.20
Rot. Bonds7

About 1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol

1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol (PubChem CID 62118576) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol
PubChem CID62118576
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol
SMILESCCCC(CC)NCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-3-5-11(4-2)17-9-14(18)12-8-10(15)6-7-13(12)16/h6-8,11,14,17-18H,3-5,9H2,1-2H3
InChIKeyODTAOFKUTYJFGK-UHFFFAOYSA-N
XLogP4.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol
CID 55261148
2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol
CID 114156111
1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol
CID 62119307
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol
CID 113495705
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol
CID 81355780
1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol
CID 60897086
1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol
CID 60899526
2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
CID 107634052
1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol
CID 60980063
1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol
CID 61473675
1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol
CID 65106659
1-(2,5-dichlorophenyl)-N-methylbutan-1-amine
CID 43486635

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol (CID 62118576) is 1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol is CCCC(CC)NCC(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol?
The InChIKey is ODTAOFKUTYJFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-3-5-11(4-2)17-9-14(18)12-8-10(15)6-7-13(12)16/h6-8,11,14,17-18H,3-5,9H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol?
1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol has a molecular weight of 290.23 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol is sourced from PubChem (CID 62118576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).