2-(4-aminocyclohexa-1,5-dien-1-yl)ethanol

C8H13NO — CID 142136887

IUPAC2-(4-aminocyclohexa-1,5-dien-1-yl)ethanol
SMILESNC1C=CC(CCO)=CC1
InChIInChI=1S/C8H13NO/c9-8-3-1-7(2-4-8)5-6-10/h1-3,8,10H,4-6,9H2
InChIKeyILAHRXRKSJWXPV-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.58
Rot. Bonds2

About 2-(4-aminocyclohexa-1,5-dien-1-yl)ethanol

2-(4-aminocyclohexa-1,5-dien-1-yl)ethanol (PubChem CID 142136887) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(4-aminocyclohexa-1,5-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-aminocyclohexa-1,5-dien-1-yl)ethanol
PubChem CID142136887
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(4-aminocyclohexa-1,5-dien-1-yl)ethanol
SMILESNC1C=CC(CCO)=CC1
InChIInChI=1S/C8H13NO/c9-8-3-1-7(2-4-8)5-6-10/h1-3,8,10H,4-6,9H2
InChIKeyILAHRXRKSJWXPV-UHFFFAOYSA-N
XLogP0.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxymethylenaniline
CID 129772177
(6-Amino-3-fluorocyclohexa-2,4-dien-1-yl)methanol
CID 132264477
(2S)-2-amino-2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol
CID 144266272
(3E,5E)-2-amino-6-(2-fluoropropan-2-yl)-3-methylocta-3,5,7-trien-1-ol
CID 145012073
(6-Amino-2-fluoro-1-methylcyclohexa-2,4-dien-1-yl)methanol
CID 163695030
(4E)-2-amino-5,6-difluoro-3-methylidenehepta-4,6-dien-1-ol
CID 142559493
2-Amino-2-cyclohexa-1,3-dien-1-ylethanol
CID 58695465
(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropan-1-ol
CID 68063874
2-Amino-3-cyclohexa-1,5-dien-1-ylpropan-1-ol
CID 68092708
2-Amino-2-(3-methylcyclohexa-1,5-dien-1-yl)ethanol
CID 68098762
(2R)-2-amino-2-cyclohexa-1,5-dien-1-ylethanol
CID 68177021
6-Amino-3-ethylcyclohexa-2,4-dien-1-ol
CID 70212276

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexa-1,5-dien-1-yl)ethanol?
The IUPAC name of 2-(4-aminocyclohexa-1,5-dien-1-yl)ethanol (CID 142136887) is 2-(4-aminocyclohexa-1,5-dien-1-yl)ethanol.
What is the SMILES notation for 2-(4-aminocyclohexa-1,5-dien-1-yl)ethanol?
The canonical SMILES for 2-(4-aminocyclohexa-1,5-dien-1-yl)ethanol is NC1C=CC(CCO)=CC1.
What is the InChIKey of 2-(4-aminocyclohexa-1,5-dien-1-yl)ethanol?
The InChIKey is ILAHRXRKSJWXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-8-3-1-7(2-4-8)5-6-10/h1-3,8,10H,4-6,9H2.
What are the key properties of 2-(4-aminocyclohexa-1,5-dien-1-yl)ethanol?
2-(4-aminocyclohexa-1,5-dien-1-yl)ethanol has a molecular weight of 139.20 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexa-1,5-dien-1-yl)ethanol is sourced from PubChem (CID 142136887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).