[4-chloro-6-[[2-(3-methoxypropoxy)-4-methylphenyl]methylamino]-2-pyridinyl]methanol

C18H23ClN2O3 — CID 166382206

IUPAC[4-chloro-6-[[2-(3-methoxypropoxy)-4-methylphenyl]methylamino]-2-pyridinyl]methanol
SMILESCOCCCOc1cc(C)ccc1CNc1cc(Cl)cc(CO)n1
InChIInChI=1S/C18H23ClN2O3/c1-13-4-5-14(17(8-13)24-7-3-6-23-2)11-20-18-10-15(19)9-16(12-22)21-18/h4-5,8-10,22H,3,6-7,11-12H2,1-2H3,(H,20,21)
InChIKeyVXMIWFCSBRCNFV-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.56
Rot. Bonds9

About [4-chloro-6-[[2-(3-methoxypropoxy)-4-methylphenyl]methylamino]-2-pyridinyl]methanol

[4-chloro-6-[[2-(3-methoxypropoxy)-4-methylphenyl]methylamino]-2-pyridinyl]methanol (PubChem CID 166382206) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is [4-chloro-6-[[2-(3-methoxypropoxy)-4-methylphenyl]methylamino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-chloro-6-[[2-(3-methoxypropoxy)-4-methylphenyl]methylamino]-2-pyridinyl]methanol
PubChem CID166382206
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name[4-chloro-6-[[2-(3-methoxypropoxy)-4-methylphenyl]methylamino]-2-pyridinyl]methanol
SMILESCOCCCOc1cc(C)ccc1CNc1cc(Cl)cc(CO)n1
InChIInChI=1S/C18H23ClN2O3/c1-13-4-5-14(17(8-13)24-7-3-6-23-2)11-20-18-10-15(19)9-16(12-22)21-18/h4-5,8-10,22H,3,6-7,11-12H2,1-2H3,(H,20,21)
InChIKeyVXMIWFCSBRCNFV-UHFFFAOYSA-N
XLogP3.56
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-6-[[2-(3-methoxypropoxy)-4-methylphenyl]methylamino]-2-pyridinyl]methanol?
The IUPAC name of [4-chloro-6-[[2-(3-methoxypropoxy)-4-methylphenyl]methylamino]-2-pyridinyl]methanol (CID 166382206) is [4-chloro-6-[[2-(3-methoxypropoxy)-4-methylphenyl]methylamino]-2-pyridinyl]methanol.
What is the SMILES notation for [4-chloro-6-[[2-(3-methoxypropoxy)-4-methylphenyl]methylamino]-2-pyridinyl]methanol?
The canonical SMILES for [4-chloro-6-[[2-(3-methoxypropoxy)-4-methylphenyl]methylamino]-2-pyridinyl]methanol is COCCCOc1cc(C)ccc1CNc1cc(Cl)cc(CO)n1.
What is the InChIKey of [4-chloro-6-[[2-(3-methoxypropoxy)-4-methylphenyl]methylamino]-2-pyridinyl]methanol?
The InChIKey is VXMIWFCSBRCNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-13-4-5-14(17(8-13)24-7-3-6-23-2)11-20-18-10-15(19)9-16(12-22)21-18/h4-5,8-10,22H,3,6-7,11-12H2,1-2H3,(H,20,21).
What are the key properties of [4-chloro-6-[[2-(3-methoxypropoxy)-4-methylphenyl]methylamino]-2-pyridinyl]methanol?
[4-chloro-6-[[2-(3-methoxypropoxy)-4-methylphenyl]methylamino]-2-pyridinyl]methanol has a molecular weight of 350.85 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-6-[[2-(3-methoxypropoxy)-4-methylphenyl]methylamino]-2-pyridinyl]methanol is sourced from PubChem (CID 166382206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).