1-[2-[2-(methylamino)ethyl]phenyl]ethane-1,2-diol

C11H17NO2 — CID 117285666

IUPAC1-[2-[2-(methylamino)ethyl]phenyl]ethane-1,2-diol
SMILESCNCCc1ccccc1C(O)CO
InChIInChI=1S/C11H17NO2/c1-12-7-6-9-4-2-3-5-10(9)11(14)8-13/h2-5,11-14H,6-8H2,1H3
InChIKeyFNBMANRVSHIHKE-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.47
Rot. Bonds5

About 1-[2-[2-(methylamino)ethyl]phenyl]ethane-1,2-diol

1-[2-[2-(methylamino)ethyl]phenyl]ethane-1,2-diol (PubChem CID 117285666) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-[2-[2-(methylamino)ethyl]phenyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-[2-(methylamino)ethyl]phenyl]ethane-1,2-diol
PubChem CID117285666
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-[2-[2-(methylamino)ethyl]phenyl]ethane-1,2-diol
SMILESCNCCc1ccccc1C(O)CO
InChIInChI=1S/C11H17NO2/c1-12-7-6-9-4-2-3-5-10(9)11(14)8-13/h2-5,11-14H,6-8H2,1H3
InChIKeyFNBMANRVSHIHKE-UHFFFAOYSA-N
XLogP0.47
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol
CID 117286234
1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol
CID 117287035
3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613183
1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol
CID 117379674
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
2-[2-(aminomethyl)phenyl]-N-methylethanamine
CID 58788115
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide
CID 107222500
4-(methylamino)-1-[2-(methylaminomethyl)phenyl]butane-1,2-diol
CID 171890262
1-[2-[2-(methylamino)ethyl]phenyl]but-3-yn-1-one
CID 116613135
2-[2-(methylamino)ethyl]benzamide
CID 69094527
2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613287
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(methylamino)ethyl]phenyl]ethane-1,2-diol?
The IUPAC name of 1-[2-[2-(methylamino)ethyl]phenyl]ethane-1,2-diol (CID 117285666) is 1-[2-[2-(methylamino)ethyl]phenyl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-[2-(methylamino)ethyl]phenyl]ethane-1,2-diol?
The canonical SMILES for 1-[2-[2-(methylamino)ethyl]phenyl]ethane-1,2-diol is CNCCc1ccccc1C(O)CO.
What is the InChIKey of 1-[2-[2-(methylamino)ethyl]phenyl]ethane-1,2-diol?
The InChIKey is FNBMANRVSHIHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12-7-6-9-4-2-3-5-10(9)11(14)8-13/h2-5,11-14H,6-8H2,1H3.
What are the key properties of 1-[2-[2-(methylamino)ethyl]phenyl]ethane-1,2-diol?
1-[2-[2-(methylamino)ethyl]phenyl]ethane-1,2-diol has a molecular weight of 195.26 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(methylamino)ethyl]phenyl]ethane-1,2-diol is sourced from PubChem (CID 117285666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).