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

C11H17ClN2O2 — CID 62493136

IUPAC2-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol
SMILESNCc1cc(Cl)ccc1N(CCO)CCO
InChIInChI=1S/C11H17ClN2O2/c12-10-1-2-11(9(7-10)8-13)14(3-5-15)4-6-16/h1-2,7,15-16H,3-6,8,13H2
InChIKeyBIAJACUTULWGAW-UHFFFAOYSA-N
MW244.72 g/mol
LogP0.59
Rot. Bonds6

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

2-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 62493136) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID62493136
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name2-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol
SMILESNCc1cc(Cl)ccc1N(CCO)CCO
InChIInChI=1S/C11H17ClN2O2/c12-10-1-2-11(9(7-10)8-13)14(3-5-15)4-6-16/h1-2,7,15-16H,3-6,8,13H2
InChIKeyBIAJACUTULWGAW-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

Analyze 2-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline
CID 62493985
2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide
CID 62923094
2-[2-(aminomethyl)-5-chloro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478489
2-[2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)anilino]ethanol
CID 114889791
2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 62946184
2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide
CID 62495000
2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol
CID 107478462
2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol
CID 54879996
2-(aminomethyl)-4-chloro-N-cyclopropyl-N-methylaniline
CID 62493641
2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline
CID 65485061
4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline
CID 114847374
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol (CID 62493136) is 2-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol is NCc1cc(Cl)ccc1N(CCO)CCO.
What is the InChIKey of 2-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is BIAJACUTULWGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c12-10-1-2-11(9(7-10)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-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol?
2-[2-(aminomethyl)-4-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-[2-(aminomethyl)-4-chloro-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 62493136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).