3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol

C13H20N2O — CID 114628567

IUPAC3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol
SMILESCc1cc(NC2CC(O)C2(C)C)ccc1N
InChIInChI=1S/C13H20N2O/c1-8-6-9(4-5-10(8)14)15-11-7-12(16)13(11,2)3/h4-6,11-12,15-16H,7,14H2,1-3H3
InChIKeyICXFUUMPIGXCRA-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.15
Rot. Bonds2

About 3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol

3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 114628567) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol
PubChem CID114628567
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol
SMILESCc1cc(NC2CC(O)C2(C)C)ccc1N
InChIInChI=1S/C13H20N2O/c1-8-6-9(4-5-10(8)14)15-11-7-12(16)13(11,2)3/h4-6,11-12,15-16H,7,14H2,1-3H3
InChIKeyICXFUUMPIGXCRA-UHFFFAOYSA-N
XLogP2.15
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628749
3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
CID 106751240
3-(3-iodo-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633569
2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol
CID 112633098
2-amino-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzonitrile
CID 114628586
3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632838
3-(3-bromo-4-fluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 115977942
3-(2-amino-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628604
2-bromo-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzonitrile
CID 107276790
2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol
CID 103952292
2,2-dimethyl-3-[(6-methyl-3-pyridinyl)amino]cyclobutan-1-ol
CID 112634209
2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
CID 112633171

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol (CID 114628567) is 3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol is Cc1cc(NC2CC(O)C2(C)C)ccc1N.
What is the InChIKey of 3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is ICXFUUMPIGXCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8-6-9(4-5-10(8)14)15-11-7-12(16)13(11,2)3/h4-6,11-12,15-16H,7,14H2,1-3H3.
What are the key properties of 3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol?
3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114628567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).