1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane

C22H37ClN2O — CID 144822008

IUPAC1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane
SMILESCC.CC.CC.Cc1ccc(CCNCC(O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H19ClN2O.3C2H6/c1-12-2-4-13(5-3-12)8-9-18-11-15(20)14-6-7-16(17)19-10-14;3*1-2/h2-7,10,15,18,20H,8-9,11H2,1H3;3*1-2H3
InChIKeySZCZEQQHTUPNQG-UHFFFAOYSA-N
MW381.00 g/mol
LogP5.99
Rot. Bonds6

About 1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane

1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane (PubChem CID 144822008) has the molecular formula C22H37ClN2O and a molecular weight of 381.00 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane
PubChem CID144822008
Molecular FormulaC22H37ClN2O
Molecular Weight381.00 g/mol
Exact Mass380.26
IUPAC Name1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane
SMILESCC.CC.CC.Cc1ccc(CCNCC(O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H19ClN2O.3C2H6/c1-12-2-4-13(5-3-12)8-9-18-11-15(20)14-6-7-16(17)19-10-14;3*1-2/h2-7,10,15,18,20H,8-9,11H2,1H3;3*1-2H3
InChIKeySZCZEQQHTUPNQG-UHFFFAOYSA-N
XLogP5.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.00
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane 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-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol
CID 111476645
(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol
CID 87976518
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
CID 23322163
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methylbenzamide
CID 123145441
(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol
CID 87975327
4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide
CID 123180607
4-[2-[[(2S)-2-(5,6-dichloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 87675015
2-amino-5-[4-[2-[[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]sulfonylbenzamide;dihydrochloride
CID 87968107
1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol
CID 20636847
4-[2-[[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-[(3-ethoxy-1H-pyrazol-5-yl)methyl]-N-methylbenzamide
CID 139419356
2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane (CID 144822008) is 1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane is CC.CC.CC.Cc1ccc(CCNCC(O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane?
The InChIKey is SZCZEQQHTUPNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O.3C2H6/c1-12-2-4-13(5-3-12)8-9-18-11-15(20)14-6-7-16(17)19-10-14;3*1-2/h2-7,10,15,18,20H,8-9,11H2,1H3;3*1-2H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane?
1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane has a molecular weight of 381.00 g/mol, XLogP of 5.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane is sourced from PubChem (CID 144822008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).