1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol

C12H17Cl2NO2 — CID 60897086

IUPAC1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol
SMILESCOCC(C)NCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-8(7-17-2)15-6-12(16)10-5-9(13)3-4-11(10)14/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyPFGRTWBBDKAXOU-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.65
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol

1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol (PubChem CID 60897086) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol
PubChem CID60897086
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol
SMILESCOCC(C)NCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-8(7-17-2)15-6-12(16)10-5-9(13)3-4-11(10)14/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyPFGRTWBBDKAXOU-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol
CID 114156111
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol
CID 81355780
1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol
CID 55261148
1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol
CID 62118576
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
(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082097
(2S)-1-[1-(2,5-dichlorophenyl)ethylamino]propan-2-ol
CID 103906527
1-(2,5-dichlorophenyl)-2-methoxypropan-1-ol
CID 79615936
1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027501
1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol
CID 60899526
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol (CID 60897086) is 1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol is COCC(C)NCC(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol?
The InChIKey is PFGRTWBBDKAXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2/c1-8(7-17-2)15-6-12(16)10-5-9(13)3-4-11(10)14/h3-5,8,12,15-16H,6-7H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol?
1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol has a molecular weight of 278.18 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol is sourced from PubChem (CID 60897086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).