4-amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol

C10H17NO — CID 142909451

IUPAC4-amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol
SMILESCC(O)(CCN)C1C=CC=CC1
InChIInChI=1S/C10H17NO/c1-10(12,7-8-11)9-5-3-2-4-6-9/h2-5,9,12H,6-8,11H2,1H3
InChIKeyPESYHYMXWTUYIZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.22
Rot. Bonds3

About 4-amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol

4-amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol (PubChem CID 142909451) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol.

Molecular Properties

Compound Name4-amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol
PubChem CID142909451
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol
SMILESCC(O)(CCN)C1C=CC=CC1
InChIInChI=1S/C10H17NO/c1-10(12,7-8-11)9-5-3-2-4-6-9/h2-5,9,12H,6-8,11H2,1H3
InChIKeyPESYHYMXWTUYIZ-UHFFFAOYSA-N
XLogP1.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-cyclohexa-2,4-dien-1-yl-3-(methylamino)butan-2-ol
CID 129630658
3-Amino-1,1,1-trifluoro-2-(6-methylcyclohexa-2,4-dien-1-yl)propan-2-ol
CID 123605263
(-)3,4-Di-hydrooxynorephedrine
CID 129818855
(R*,R*)-(1)-alpha-(1-Aminoethyl)benzyl alcohol hydrochloride
CID 6451279
(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride
CID 146677614
1-Amino-2-cyclohexa-2,4-dien-1-ylnonan-2-ol
CID 68238655
(3S,5R)-4-cyclohexa-2,4-dien-1-yl-3,5-dimethylpiperidin-4-ol
CID 68311904
1-(2-Aminopropyl)cyclohexa-2,4-dien-1-ol
CID 78410869
4-(4-Methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
CID 89025215
4-Cyclohexa-2,4-dien-1-ylpiperidin-4-ol
CID 89109775
2-Amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol
CID 91522670
3-Amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol
CID 123502291

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol?
The IUPAC name of 4-amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol (CID 142909451) is 4-amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol.
What is the SMILES notation for 4-amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol?
The canonical SMILES for 4-amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol is CC(O)(CCN)C1C=CC=CC1.
What is the InChIKey of 4-amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol?
The InChIKey is PESYHYMXWTUYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(12,7-8-11)9-5-3-2-4-6-9/h2-5,9,12H,6-8,11H2,1H3.
What are the key properties of 4-amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol?
4-amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol has a molecular weight of 167.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol is sourced from PubChem (CID 142909451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).