1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol

C12H17Cl2NO — CID 66039611

IUPAC1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-3-15-8-12(2,16)7-9-4-5-10(13)6-11(9)14/h4-6,15-16H,3,7-8H2,1-2H3
InChIKeyNOWJPYWIVVMKMQ-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.90
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol

1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol (PubChem CID 66039611) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
PubChem CID66039611
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-3-15-8-12(2,16)7-9-4-5-10(13)6-11(9)14/h4-6,15-16H,3,7-8H2,1-2H3
InChIKeyNOWJPYWIVVMKMQ-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039856
1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66040311
1-(5-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66036998
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885487
1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol
CID 66039362
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 114861733
1-(2-chloro-4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66037305
3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 103049675
1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 114267868
1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833275
2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63508313
1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105375921

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol (CID 66039611) is 1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol is CCNCC(C)(O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol?
The InChIKey is NOWJPYWIVVMKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-3-15-8-12(2,16)7-9-4-5-10(13)6-11(9)14/h4-6,15-16H,3,7-8H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol?
1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol has a molecular weight of 262.18 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 66039611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).