4-(4-fluoro-2-methyl-6-phenylmethoxyphenyl)-1,2,3,6-tetrahydropyridine

C19H20FNO — CID 69281242

IUPAC4-(4-fluoro-2-methyl-6-phenylmethoxyphenyl)-1,2,3,6-tetrahydropyridine
SMILESCc1cc(F)cc(OCc2ccccc2)c1C1=CCNCC1
InChIInChI=1S/C19H20FNO/c1-14-11-17(20)12-18(19(14)16-7-9-21-10-8-16)22-13-15-5-3-2-4-6-15/h2-7,11-12,21H,8-10,13H2,1H3
InChIKeyWJAWTBHIINWWGK-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.09
Rot. Bonds4

About 4-(4-fluoro-2-methyl-6-phenylmethoxyphenyl)-1,2,3,6-tetrahydropyridine

4-(4-fluoro-2-methyl-6-phenylmethoxyphenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 69281242) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 4-(4-fluoro-2-methyl-6-phenylmethoxyphenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(4-fluoro-2-methyl-6-phenylmethoxyphenyl)-1,2,3,6-tetrahydropyridine
PubChem CID69281242
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name4-(4-fluoro-2-methyl-6-phenylmethoxyphenyl)-1,2,3,6-tetrahydropyridine
SMILESCc1cc(F)cc(OCc2ccccc2)c1C1=CCNCC1
InChIInChI=1S/C19H20FNO/c1-14-11-17(20)12-18(19(14)16-7-9-21-10-8-16)22-13-15-5-3-2-4-6-15/h2-7,11-12,21H,8-10,13H2,1H3
InChIKeyWJAWTBHIINWWGK-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451
5-fluoro-1-methyl-2-nitro-3-phenylmethoxybenzene;1,3,5-trifluoro-2-nitrobenzene
CID 158475219
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
5-[1-fluoro-3-phenylmethoxy-7-(1,2,3,6-tetrahydropyridin-4-yl)naphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155764370
2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline
CID 170368161
CID 91468453
CID 91468453
6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104179
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine
CID 66688931
1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene
CID 175309090
2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 91109625

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methyl-6-phenylmethoxyphenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(4-fluoro-2-methyl-6-phenylmethoxyphenyl)-1,2,3,6-tetrahydropyridine (CID 69281242) is 4-(4-fluoro-2-methyl-6-phenylmethoxyphenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(4-fluoro-2-methyl-6-phenylmethoxyphenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(4-fluoro-2-methyl-6-phenylmethoxyphenyl)-1,2,3,6-tetrahydropyridine is Cc1cc(F)cc(OCc2ccccc2)c1C1=CCNCC1.
What is the InChIKey of 4-(4-fluoro-2-methyl-6-phenylmethoxyphenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is WJAWTBHIINWWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-14-11-17(20)12-18(19(14)16-7-9-21-10-8-16)22-13-15-5-3-2-4-6-15/h2-7,11-12,21H,8-10,13H2,1H3.
What are the key properties of 4-(4-fluoro-2-methyl-6-phenylmethoxyphenyl)-1,2,3,6-tetrahydropyridine?
4-(4-fluoro-2-methyl-6-phenylmethoxyphenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 297.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methyl-6-phenylmethoxyphenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 69281242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).