2-[(4-aminocyclohexa-1,3-dien-1-yl)-(2-hydroxyethyl)amino]ethanol

C10H18N2O2 — CID 143535047

IUPAC2-[(4-aminocyclohexa-1,3-dien-1-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNC1=CC=C(N(CCO)CCO)CC1
InChIInChI=1S/C10H18N2O2/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14/h1,3,13-14H,2,4-8,11H2
InChIKeySCQVHOBGZSPJPM-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.21
Rot. Bonds5

About 2-[(4-aminocyclohexa-1,3-dien-1-yl)-(2-hydroxyethyl)amino]ethanol

2-[(4-aminocyclohexa-1,3-dien-1-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 143535047) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[(4-aminocyclohexa-1,3-dien-1-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-aminocyclohexa-1,3-dien-1-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID143535047
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[(4-aminocyclohexa-1,3-dien-1-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNC1=CC=C(N(CCO)CCO)CC1
InChIInChI=1S/C10H18N2O2/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14/h1,3,13-14H,2,4-8,11H2
InChIKeySCQVHOBGZSPJPM-UHFFFAOYSA-N
XLogP-0.21
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexa-1,3-dien-1-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(4-aminocyclohexa-1,3-dien-1-yl)-(2-hydroxyethyl)amino]ethanol (CID 143535047) is 2-[(4-aminocyclohexa-1,3-dien-1-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-aminocyclohexa-1,3-dien-1-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(4-aminocyclohexa-1,3-dien-1-yl)-(2-hydroxyethyl)amino]ethanol is NC1=CC=C(N(CCO)CCO)CC1.
What is the InChIKey of 2-[(4-aminocyclohexa-1,3-dien-1-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is SCQVHOBGZSPJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14/h1,3,13-14H,2,4-8,11H2.
What are the key properties of 2-[(4-aminocyclohexa-1,3-dien-1-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(4-aminocyclohexa-1,3-dien-1-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 198.27 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexa-1,3-dien-1-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 143535047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).