2-[(1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol

C9H15NO — CID 70006133

IUPAC2-[(1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol
SMILESCC1(NCCO)C=CC=CC1
InChIInChI=1S/C9H15NO/c1-9(10-7-8-11)5-3-2-4-6-9/h2-5,10-11H,6-8H2,1H3
InChIKeyYJEYEDTWBFMMRO-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.84
Rot. Bonds3

About 2-[(1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol

2-[(1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol (PubChem CID 70006133) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-[(1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol
PubChem CID70006133
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-[(1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol
SMILESCC1(NCCO)C=CC=CC1
InChIInChI=1S/C9H15NO/c1-9(10-7-8-11)5-3-2-4-6-9/h2-5,10-11H,6-8H2,1H3
InChIKeyYJEYEDTWBFMMRO-UHFFFAOYSA-N
XLogP0.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The IUPAC name of 2-[(1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol (CID 70006133) is 2-[(1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol.
What is the SMILES notation for 2-[(1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The canonical SMILES for 2-[(1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol is CC1(NCCO)C=CC=CC1.
What is the InChIKey of 2-[(1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The InChIKey is YJEYEDTWBFMMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(10-7-8-11)5-3-2-4-6-9/h2-5,10-11H,6-8H2,1H3.
What are the key properties of 2-[(1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol?
2-[(1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol has a molecular weight of 153.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol is sourced from PubChem (CID 70006133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).