2-(2-amino-N-benzyl-5-chloroanilino)ethanol

C15H17ClN2O — CID 115468874

IUPAC2-(2-amino-N-benzyl-5-chloroanilino)ethanol
SMILESNc1ccc(Cl)cc1N(CCO)Cc1ccccc1
InChIInChI=1S/C15H17ClN2O/c16-13-6-7-14(17)15(10-13)18(8-9-19)11-12-4-2-1-3-5-12/h1-7,10,19H,8-9,11,17H2
InChIKeyOZQVFVWXDVKSHC-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.92
Rot. Bonds5

About 2-(2-amino-N-benzyl-5-chloroanilino)ethanol

2-(2-amino-N-benzyl-5-chloroanilino)ethanol (PubChem CID 115468874) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-(2-amino-N-benzyl-5-chloroanilino)ethanol.

Molecular Properties

Compound Name2-(2-amino-N-benzyl-5-chloroanilino)ethanol
PubChem CID115468874
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-(2-amino-N-benzyl-5-chloroanilino)ethanol
SMILESNc1ccc(Cl)cc1N(CCO)Cc1ccccc1
InChIInChI=1S/C15H17ClN2O/c16-13-6-7-14(17)15(10-13)18(8-9-19)11-12-4-2-1-3-5-12/h1-7,10,19H,8-9,11,17H2
InChIKeyOZQVFVWXDVKSHC-UHFFFAOYSA-N
XLogP2.92
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-N-benzyl-5-chloroanilino)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-(2-amino-N-benzyl-5-bromo-4-fluoroanilino)ethanol
CID 116735819
2-[3-amino-4-[benzyl(2-hydroxyethyl)amino]phenyl]acetic acid
CID 165453038
2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol
CID 102757794
4-chloro-2-N-methyl-2-N-(3-phenylpropyl)benzene-1,2-diamine
CID 115468658
2-amino-5-[benzyl(2-hydroxyethyl)amino]benzonitrile
CID 115499378
4-[benzyl(2-hydroxyethyl)amino]-3-chlorobenzonitrile
CID 63092619
2-N,2-N-dibenzylbenzene-1,2-diamine
CID 23459358
2-[benzyl(2-hydroxyethyl)amino]-6-fluorobenzenecarbothioamide
CID 79517544
2-(N-benzyl-3-chloro-2-nitroanilino)ethanol
CID 104838976
3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol
CID 141277151
2-[(5-amino-6-methoxy-2-pyridinyl)-benzylamino]ethanol
CID 62114263
2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide
CID 140564775

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-benzyl-5-chloroanilino)ethanol?
The IUPAC name of 2-(2-amino-N-benzyl-5-chloroanilino)ethanol (CID 115468874) is 2-(2-amino-N-benzyl-5-chloroanilino)ethanol.
What is the SMILES notation for 2-(2-amino-N-benzyl-5-chloroanilino)ethanol?
The canonical SMILES for 2-(2-amino-N-benzyl-5-chloroanilino)ethanol is Nc1ccc(Cl)cc1N(CCO)Cc1ccccc1.
What is the InChIKey of 2-(2-amino-N-benzyl-5-chloroanilino)ethanol?
The InChIKey is OZQVFVWXDVKSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-13-6-7-14(17)15(10-13)18(8-9-19)11-12-4-2-1-3-5-12/h1-7,10,19H,8-9,11,17H2.
What are the key properties of 2-(2-amino-N-benzyl-5-chloroanilino)ethanol?
2-(2-amino-N-benzyl-5-chloroanilino)ethanol has a molecular weight of 276.77 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-benzyl-5-chloroanilino)ethanol is sourced from PubChem (CID 115468874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).