1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol

C14H21Cl2NO — CID 66038942

IUPAC1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol
SMILESCC(O)(CNC(C)(C)C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-13(2,3)17-9-14(4,18)8-10-11(15)6-5-7-12(10)16/h5-7,17-18H,8-9H2,1-4H3
InChIKeyLHISLUOONRZJJF-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.67
Rot. Bonds4

About 1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol

1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol (PubChem CID 66038942) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol
PubChem CID66038942
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol
SMILESCC(O)(CNC(C)(C)C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-13(2,3)17-9-14(4,18)8-10-11(15)6-5-7-12(10)16/h5-7,17-18H,8-9H2,1-4H3
InChIKeyLHISLUOONRZJJF-UHFFFAOYSA-N
XLogP3.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832731
N-tert-butyl-2-(2,6-dichlorophenyl)-2-methylpropan-1-amine
CID 55195552
1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
CID 62773407
CID 174042722
CID 174042722
2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide
CID 63060390
4-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003499
3-(2,6-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739420
1-chloro-2-(2,2-dimethylpropyl)-3-methylbenzene
CID 118259234
N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine
CID 82806549
2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine
CID 83159201
1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270750
1-(3-chloro-2-methylanilino)-2-methylbutan-2-ol
CID 114492530

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol (CID 66038942) is 1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol is CC(O)(CNC(C)(C)C)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol?
The InChIKey is LHISLUOONRZJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-13(2,3)17-9-14(4,18)8-10-11(15)6-5-7-12(10)16/h5-7,17-18H,8-9H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol?
1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol has a molecular weight of 290.23 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 66038942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).