1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol

C15H23Cl2NO — CID 106284802

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

About 1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol

1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol (PubChem CID 106284802) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
PubChem CID106284802
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2NO/c1-4-11(5-2)15(19)9-18-10(3)13-8-12(16)6-7-14(13)17/h6-8,10-11,15,18-19H,4-5,9H2,1-3H3
InChIKeyPWARLDOUJAHLNQ-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-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484
(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-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103783021
1-(2,5-dichlorophenyl)-2-(3-ethylpentan-2-ylamino)ethanol
CID 55261148
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol
CID 81355780
1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103716969
1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284625
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
(2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol
CID 103922444
1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine
CID 114099692
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol
CID 103783012

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol (CID 106284802) is 1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNC(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol?
The InChIKey is PWARLDOUJAHLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-4-11(5-2)15(19)9-18-10(3)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-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol?
1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol 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-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol is sourced from PubChem (CID 106284802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).