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

C15H23Cl2NO — CID 55261148

IUPAC1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol
SMILESCCC(CC)C(C)NCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2NO/c1-4-11(5-2)10(3)18-9-15(19)13-8-12(16)6-7-14(13)17/h6-8,10-11,15,18-19H,4-5,9H2,1-3H3
InChIKeyNUWMJNQHWODVEQ-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.44
Rot. Bonds7

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

1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol (PubChem CID 55261148) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol
PubChem CID55261148
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol
SMILESCCC(CC)C(C)NCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2NO/c1-4-11(5-2)10(3)18-9-15(19)13-8-12(16)6-7-14(13)17/h6-8,10-11,15,18-19H,4-5,9H2,1-3H3
InChIKeyNUWMJNQHWODVEQ-UHFFFAOYSA-N
XLogP4.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol
CID 62118576
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol
CID 81355780
1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284802
1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol
CID 60897086
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
2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol
CID 114156111
(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082097
1-(2,5-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817515
(2S)-1-[1-(2,5-dichlorophenyl)ethylamino]propan-2-ol
CID 103906527
1-(2-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54950007
1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol
CID 60899526

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol (CID 55261148) is 1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol is CCC(CC)C(C)NCC(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol?
The InChIKey is NUWMJNQHWODVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-4-11(5-2)10(3)18-9-15(19)13-8-12(16)6-7-14(13)17/h6-8,10-11,15,18-19H,4-5,9H2,1-3H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol?
1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol has a molecular weight of 304.26 g/mol, XLogP of 4.44, 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-(3-ethylpentan-2-ylamino)ethanol is sourced from PubChem (CID 55261148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).