2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol

C15H16ClNO2 — CID 107708372

IUPAC2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol
SMILESNCc1ccc(Cl)cc1Oc1ccc(CCO)cc1
InChIInChI=1S/C15H16ClNO2/c16-13-4-3-12(10-17)15(9-13)19-14-5-1-11(2-6-14)7-8-18/h1-6,9,18H,7-8,10,17H2
InChIKeyMEZFQMQTBLCPLR-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.13
Rot. Bonds5

About 2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol

2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol (PubChem CID 107708372) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol
PubChem CID107708372
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol
SMILESNCc1ccc(Cl)cc1Oc1ccc(CCO)cc1
InChIInChI=1S/C15H16ClNO2/c16-13-4-3-12(10-17)15(9-13)19-14-5-1-11(2-6-14)7-8-18/h1-6,9,18H,7-8,10,17H2
InChIKeyMEZFQMQTBLCPLR-UHFFFAOYSA-N
XLogP3.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709587
2-[2-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol
CID 107711772
[4-chloro-2-(4-propan-2-ylphenoxy)phenyl]methanamine
CID 63456564
[4-chloro-2-(4-chlorophenoxy)phenyl]methanol
CID 86078233
2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol
CID 107708359
[4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol
CID 62306971
[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
CID 114856813
2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 71236598
[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
CID 63082834
2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine
CID 114863148
[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663676
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol (CID 107708372) is 2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol is NCc1ccc(Cl)cc1Oc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol?
The InChIKey is MEZFQMQTBLCPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-13-4-3-12(10-17)15(9-13)19-14-5-1-11(2-6-14)7-8-18/h1-6,9,18H,7-8,10,17H2.
What are the key properties of 2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol?
2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol has a molecular weight of 277.75 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol is sourced from PubChem (CID 107708372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).