1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol

C15H16Cl2N2O — CID 86624869

IUPAC1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol
SMILESCC(O)N(Cc1ccc(Cl)cc1)Cc1ccc(Cl)nc1
InChIInChI=1S/C15H16Cl2N2O/c1-11(20)19(9-12-2-5-14(16)6-3-12)10-13-4-7-15(17)18-8-13/h2-8,11,20H,9-10H2,1H3
InChIKeyKAQNLLZLDAGBKU-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.73
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol

1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol (PubChem CID 86624869) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol
PubChem CID86624869
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol
SMILESCC(O)N(Cc1ccc(Cl)cc1)Cc1ccc(Cl)nc1
InChIInChI=1S/C15H16Cl2N2O/c1-11(20)19(9-12-2-5-14(16)6-3-12)10-13-4-7-15(17)18-8-13/h2-8,11,20H,9-10H2,1H3
InChIKeyKAQNLLZLDAGBKU-UHFFFAOYSA-N
XLogP3.73
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-N-ethylbutan-2-amine
CID 43274506
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine
CID 89003402
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112692351
N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide
CID 119042166
(6-chloro-3-pyridinyl)methyl-methylcyanamide
CID 119085201
3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 111543545
2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide
CID 77144541
2-chloro-5-[(2S)-2-methylbutyl]pyridine
CID 56840075
N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide
CID 19967186
5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine
CID 55046282

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol?
The IUPAC name of 1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol (CID 86624869) is 1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol?
The canonical SMILES for 1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol is CC(O)N(Cc1ccc(Cl)cc1)Cc1ccc(Cl)nc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol?
The InChIKey is KAQNLLZLDAGBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-11(20)19(9-12-2-5-14(16)6-3-12)10-13-4-7-15(17)18-8-13/h2-8,11,20H,9-10H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol?
1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol has a molecular weight of 311.21 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol is sourced from PubChem (CID 86624869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).