2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol

C13H19NO — CID 112633098

IUPAC2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol
SMILESCc1cccc(NC2CC(O)C2(C)C)c1
InChIInChI=1S/C13H19NO/c1-9-5-4-6-10(7-9)14-11-8-12(15)13(11,2)3/h4-7,11-12,14-15H,8H2,1-3H3
InChIKeyDNVVABSPJBCVLA-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.57
Rot. Bonds2

About 2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol

2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol (PubChem CID 112633098) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol
PubChem CID112633098
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol
SMILESCc1cccc(NC2CC(O)C2(C)C)c1
InChIInChI=1S/C13H19NO/c1-9-5-4-6-10(7-9)14-11-8-12(15)13(11,2)3/h4-7,11-12,14-15H,8H2,1-3H3
InChIKeyDNVVABSPJBCVLA-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628567
2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol
CID 112633293
2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol
CID 103952292
2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol
CID 112633237
3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
CID 106751240
3-(3-amino-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628749
3-(3-iodo-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633569
3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633972
N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide
CID 115972146
2,2-dimethyl-3-[3-(2H-tetrazol-5-yl)anilino]cyclobutan-1-ol
CID 112633643
3-(2-amino-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628604
2,2-dimethyl-3-[[3-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol
CID 114629282

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol (CID 112633098) is 2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol is Cc1cccc(NC2CC(O)C2(C)C)c1.
What is the InChIKey of 2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol?
The InChIKey is DNVVABSPJBCVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-5-4-6-10(7-9)14-11-8-12(15)13(11,2)3/h4-7,11-12,14-15H,8H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol?
2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol is sourced from PubChem (CID 112633098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).