1-anilino-3,3-dimethylbutan-2-ol

C12H19NO — CID 10607819

IUPAC1-anilino-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CNc1ccccc1
InChIInChI=1S/C12H19NO/c1-12(2,3)11(14)9-13-10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1-3H3
InChIKeyBQLWYMSNPOKMNR-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.51
Rot. Bonds3

About 1-anilino-3,3-dimethylbutan-2-ol

1-anilino-3,3-dimethylbutan-2-ol (PubChem CID 10607819) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-anilino-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-anilino-3,3-dimethylbutan-2-ol
PubChem CID10607819
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-anilino-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CNc1ccccc1
InChIInChI=1S/C12H19NO/c1-12(2,3)11(14)9-13-10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1-3H3
InChIKeyBQLWYMSNPOKMNR-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-anilinoethanol
CID 54286676
1-anilino-3-chloropropan-2-ol
CID 3640254
3,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol
CID 113350453
(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
CID 89354678
3,3-dimethyl-1-(phenylmethoxyamino)butan-2-ol
CID 130501755
1-anilino-2-methylpentan-3-ol
CID 69294698
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
N-(2-bromopropyl)aniline
CID 13183607
3,3-dimethyl-1-(methylamino)butan-2-ol
CID 15635078
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916
3-amino-2-(anilinomethyl)butanoic acid
CID 22626953

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-anilino-3,3-dimethylbutan-2-ol (CID 10607819) is 1-anilino-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-anilino-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-anilino-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)CNc1ccccc1.
What is the InChIKey of 1-anilino-3,3-dimethylbutan-2-ol?
The InChIKey is BQLWYMSNPOKMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)11(14)9-13-10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1-3H3.
What are the key properties of 1-anilino-3,3-dimethylbutan-2-ol?
1-anilino-3,3-dimethylbutan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 10607819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).