2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol

C15H15Cl3N2O — CID 87686392

IUPAC2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol
SMILESCN(Cc1ccc(Cl)nc1Cl)C(CO)c1cccc(Cl)c1
InChIInChI=1S/C15H15Cl3N2O/c1-20(8-11-5-6-14(17)19-15(11)18)13(9-21)10-3-2-4-12(16)7-10/h2-7,13,21H,8-9H2,1H3
InChIKeyPAUVASWQZRSRSG-UHFFFAOYSA-N
MW345.66 g/mol
LogP4.21
Rot. Bonds5

About 2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol

2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol (PubChem CID 87686392) has the molecular formula C15H15Cl3N2O and a molecular weight of 345.66 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol
PubChem CID87686392
Molecular FormulaC15H15Cl3N2O
Molecular Weight345.66 g/mol
Exact Mass344.02
IUPAC Name2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol
SMILESCN(Cc1ccc(Cl)nc1Cl)C(CO)c1cccc(Cl)c1
InChIInChI=1S/C15H15Cl3N2O/c1-20(8-11-5-6-14(17)19-15(11)18)13(9-21)10-3-2-4-12(16)7-10/h2-7,13,21H,8-9H2,1H3
InChIKeyPAUVASWQZRSRSG-UHFFFAOYSA-N
XLogP4.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.66
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 106993926
1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 106993559
N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine
CID 61416664
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 106993912
1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine
CID 116518968
N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine
CID 106993934
2-[(2,6-dichloro-3-pyridinyl)methyl-pentan-3-ylamino]ethanol
CID 106993642
3-[(2,6-dichloro-3-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
CID 106993640
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine
CID 106993484
4-amino-2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]phenol
CID 62979115
5-bromo-2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]aniline
CID 79712993
2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63583159

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol?
The IUPAC name of 2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol (CID 87686392) is 2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol is CN(Cc1ccc(Cl)nc1Cl)C(CO)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol?
The InChIKey is PAUVASWQZRSRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N2O/c1-20(8-11-5-6-14(17)19-15(11)18)13(9-21)10-3-2-4-12(16)7-10/h2-7,13,21H,8-9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol?
2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol has a molecular weight of 345.66 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol is sourced from PubChem (CID 87686392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).