3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol

C12H15Cl2NO — CID 112633168

IUPAC3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-12(2)10(6-11(12)16)15-9-4-7(13)3-8(14)5-9/h3-5,10-11,15-16H,6H2,1-2H3
InChIKeyHJHOZNNMKOAHPV-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.56
Rot. Bonds2

About 3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol

3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 112633168) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol
PubChem CID112633168
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-12(2)10(6-11(12)16)15-9-4-7(13)3-8(14)5-9/h3-5,10-11,15-16H,6H2,1-2H3
InChIKeyHJHOZNNMKOAHPV-UHFFFAOYSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633224
2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
CID 112633171
3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
CID 106751240
3-(2-amino-5-chloroanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628781
2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol
CID 107587633
3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628567
2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol
CID 112633098
3-(3-bromo-4-fluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 115977942
2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide
CID 112633806
2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol
CID 103952292
3-(3-iodo-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633569
3-(4-amino-2-chloroanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628645

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol (CID 112633168) is 3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is HJHOZNNMKOAHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-12(2)10(6-11(12)16)15-9-4-7(13)3-8(14)5-9/h3-5,10-11,15-16H,6H2,1-2H3.
What are the key properties of 3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol?
3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 260.16 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112633168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).