2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol

C11H17ClN2O2 — CID 62946184

IUPAC2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
SMILESNCc1ccc(N(CCO)CCO)cc1Cl
InChIInChI=1S/C11H17ClN2O2/c12-11-7-10(2-1-9(11)8-13)14(3-5-15)4-6-16/h1-2,7,15-16H,3-6,8,13H2
InChIKeyMQUBSILMNCSUMU-UHFFFAOYSA-N
MW244.72 g/mol
LogP0.59
Rot. Bonds6

About 2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol

2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 62946184) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID62946184
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
SMILESNCc1ccc(N(CCO)CCO)cc1Cl
InChIInChI=1S/C11H17ClN2O2/c12-11-7-10(2-1-9(11)8-13)14(3-5-15)4-6-16/h1-2,7,15-16H,3-6,8,13H2
InChIKeyMQUBSILMNCSUMU-UHFFFAOYSA-N
XLogP0.59
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol (CID 62946184) is 2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol is NCc1ccc(N(CCO)CCO)cc1Cl.
What is the InChIKey of 2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is MQUBSILMNCSUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c12-11-7-10(2-1-9(11)8-13)14(3-5-15)4-6-16/h1-2,7,15-16H,3-6,8,13H2.
What are the key properties of 2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol?
2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 244.72 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 62946184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).