ethylbenzene;2-(methylamino)ethanol

C11H19NO — CID 143437465

IUPACethylbenzene;2-(methylamino)ethanol
SMILESCCc1ccccc1.CNCCO
InChIInChI=1S/C8H10.C3H9NO/c1-2-8-6-4-3-5-7-8;1-4-2-3-5/h3-7H,2H2,1H3;4-5H,2-3H2,1H3
InChIKeyAELGNFYUPFINGX-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.45
Rot. Bonds3

About ethylbenzene;2-(methylamino)ethanol

ethylbenzene;2-(methylamino)ethanol (PubChem CID 143437465) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethylbenzene;2-(methylamino)ethanol.

Molecular Properties

Compound Nameethylbenzene;2-(methylamino)ethanol
PubChem CID143437465
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethylbenzene;2-(methylamino)ethanol
SMILESCCc1ccccc1.CNCCO
InChIInChI=1S/C8H10.C3H9NO/c1-2-8-6-4-3-5-7-8;1-4-2-3-5/h3-7H,2H2,1H3;4-5H,2-3H2,1H3
InChIKeyAELGNFYUPFINGX-UHFFFAOYSA-N
XLogP1.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Benzylethanolamine
CID 4348
2-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
N-Phenethylethanolamine
CID 17826
Isopropanolamine dodecylbenzene sulfonate
CID 138394836
2-[[3-(4-tert-Butylphenyl)-2-methylpropyl]amino]ethanol
CID 139596372
2-[(3-Phenyl-2-propyn-1-yl)amino]-1-butanol hydrochloride
CID 2958354
1-(Methylamino)-3-phenylpropan-2-ol
CID 3047196
Ethanol, 2-(alpha-methylphenethyl)amino-
CID 45446
1-(Benzylamino)propan-2-ol
CID 97731
2-[(3-Phenylpropyl)(propyl)amino]ethanol
CID 756834
2-Methyl-2-[(3-phenyl-2-propyn-1-yl)amino]-1-propanol hydrochloride
CID 2960072
2-Propanol, 1-(alpha,alpha-dimethyl-beta-phenethylamino)-
CID 89515

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;2-(methylamino)ethanol?
The IUPAC name of ethylbenzene;2-(methylamino)ethanol (CID 143437465) is ethylbenzene;2-(methylamino)ethanol.
What is the SMILES notation for ethylbenzene;2-(methylamino)ethanol?
The canonical SMILES for ethylbenzene;2-(methylamino)ethanol is CCc1ccccc1.CNCCO.
What is the InChIKey of ethylbenzene;2-(methylamino)ethanol?
The InChIKey is AELGNFYUPFINGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C3H9NO/c1-2-8-6-4-3-5-7-8;1-4-2-3-5/h3-7H,2H2,1H3;4-5H,2-3H2,1H3.
What are the key properties of ethylbenzene;2-(methylamino)ethanol?
ethylbenzene;2-(methylamino)ethanol has a molecular weight of 181.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;2-(methylamino)ethanol is sourced from PubChem (CID 143437465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).