4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine

C16H18ClNO2 — CID 66460366

IUPAC4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine
SMILESCOc1cccc(C(Cl)C(C)c2ccncc2)c1OC
InChIInChI=1S/C16H18ClNO2/c1-11(12-7-9-18-10-8-12)15(17)13-5-4-6-14(19-2)16(13)20-3/h4-11,15H,1-3H3
InChIKeyUNCMSPRAAZAHIL-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.18
Rot. Bonds5

About 4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine

4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine (PubChem CID 66460366) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine
PubChem CID66460366
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine
SMILESCOc1cccc(C(Cl)C(C)c2ccncc2)c1OC
InChIInChI=1S/C16H18ClNO2/c1-11(12-7-9-18-10-8-12)15(17)13-5-4-6-14(19-2)16(13)20-3/h4-11,15H,1-3H3
InChIKeyUNCMSPRAAZAHIL-UHFFFAOYSA-N
XLogP4.18
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66461765
1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66446566
4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine
CID 66459760
1-(2-methoxyphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 60819715
(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
CID 97011790
[(2-methoxyphenyl)-pyridin-4-ylmethyl]hydrazine
CID 105196350
4-[1-chloro-1-(3-methylphenyl)propan-2-yl]pyridine
CID 66459346
1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene
CID 174534861
(2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine
CID 82807035
1-(1-fluoropropyl)-2,3-dimethoxybenzene
CID 91020266
4-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine
CID 66460565
4-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine
CID 66459967

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine?
The IUPAC name of 4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine (CID 66460366) is 4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine.
What is the SMILES notation for 4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine?
The canonical SMILES for 4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine is COc1cccc(C(Cl)C(C)c2ccncc2)c1OC.
What is the InChIKey of 4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine?
The InChIKey is UNCMSPRAAZAHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11(12-7-9-18-10-8-12)15(17)13-5-4-6-14(19-2)16(13)20-3/h4-11,15H,1-3H3.
What are the key properties of 4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine?
4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine has a molecular weight of 291.78 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine is sourced from PubChem (CID 66460366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).