2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol

C11H17NO2 — CID 23064642

IUPAC2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol
SMILESNCc1c(CCO)cccc1CCO
InChIInChI=1S/C11H17NO2/c12-8-11-9(4-6-13)2-1-3-10(11)5-7-14/h1-3,13-14H,4-8,12H2
InChIKeyAMIUFSJCYPVQKN-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.21
Rot. Bonds5

About 2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol

2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol (PubChem CID 23064642) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol
PubChem CID23064642
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol
SMILESNCc1c(CCO)cccc1CCO
InChIInChI=1S/C11H17NO2/c12-8-11-9(4-6-13)2-1-3-10(11)5-7-14/h1-3,13-14H,4-8,12H2
InChIKeyAMIUFSJCYPVQKN-UHFFFAOYSA-N
XLogP0.21
TPSA66.48 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 ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[4-(aminomethyl)phenyl]methoxy]phenyl]ethanol
CID 107712248
2-(2,3-diiodophenyl)ethanol
CID 155025803
[2-(aminomethyl)-3-methylphenyl]methanol
CID 135377044
2-(3-fluoro-2-iodophenyl)ethanol
CID 67516027
2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol
CID 117276602
2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol
CID 87369855
3-(2-hydroxyethyl)-2-(hydroxymethyl)benzenesulfonic acid
CID 87773616
2-[2-(3-aminopropoxy)phenyl]ethanol
CID 107712249
2-bromo-3-(2-hydroxyethyl)phenol
CID 141056029
[3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride
CID 170914048
1-[2,3-bis(aminomethyl)phenyl]propan-2-ol
CID 101292367
(2-butyl-6-methylphenyl)methanamine
CID 163670855

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol?
The IUPAC name of 2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol (CID 23064642) is 2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol is NCc1c(CCO)cccc1CCO.
What is the InChIKey of 2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol?
The InChIKey is AMIUFSJCYPVQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c12-8-11-9(4-6-13)2-1-3-10(11)5-7-14/h1-3,13-14H,4-8,12H2.
What are the key properties of 2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol?
2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol has a molecular weight of 195.26 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol is sourced from PubChem (CID 23064642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).