2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol

C11H16ClNO3 — CID 102723882

IUPAC2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol
SMILESNCc1ccc(OCCOCCO)cc1Cl
InChIInChI=1S/C11H16ClNO3/c12-11-7-10(2-1-9(11)8-13)16-6-5-15-4-3-14/h1-2,7,14H,3-6,8,13H2
InChIKeyRTMRHSJXJGEXNE-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.19
Rot. Bonds7

About 2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol

2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol (PubChem CID 102723882) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol
PubChem CID102723882
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol
SMILESNCc1ccc(OCCOCCO)cc1Cl
InChIInChI=1S/C11H16ClNO3/c12-11-7-10(2-1-9(11)8-13)16-6-5-15-4-3-14/h1-2,7,14H,3-6,8,13H2
InChIKeyRTMRHSJXJGEXNE-UHFFFAOYSA-N
XLogP1.19
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(aminomethyl)-3-chlorophenoxy]propanamide
CID 102723769
2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile
CID 102674632
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid
CID 102723879
2-[2-(3-chlorophenoxy)ethoxy]ethanol
CID 10443322
[2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 62945709
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol
CID 61074623
3-[4-(aminomethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide
CID 102723750
2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol
CID 61069192
[4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine
CID 106721622
4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol (CID 102723882) is 2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol is NCc1ccc(OCCOCCO)cc1Cl.
What is the InChIKey of 2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol?
The InChIKey is RTMRHSJXJGEXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c12-11-7-10(2-1-9(11)8-13)16-6-5-15-4-3-14/h1-2,7,14H,3-6,8,13H2.
What are the key properties of 2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol?
2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol has a molecular weight of 245.71 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol is sourced from PubChem (CID 102723882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).