4-[(2-fluoro-5-hexan-3-ylphenyl)methyl]morpholine

C17H26FNO — CID 143689064

IUPAC4-[(2-fluoro-5-hexan-3-ylphenyl)methyl]morpholine
SMILESCCCC(CC)c1ccc(F)c(CN2CCOCC2)c1
InChIInChI=1S/C17H26FNO/c1-3-5-14(4-2)15-6-7-17(18)16(12-15)13-19-8-10-20-11-9-19/h6-7,12,14H,3-5,8-11,13H2,1-2H3
InChIKeyBGSJGACXJBLKBR-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.95
Rot. Bonds6

About 4-[(2-fluoro-5-hexan-3-ylphenyl)methyl]morpholine

4-[(2-fluoro-5-hexan-3-ylphenyl)methyl]morpholine (PubChem CID 143689064) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-[(2-fluoro-5-hexan-3-ylphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-fluoro-5-hexan-3-ylphenyl)methyl]morpholine
PubChem CID143689064
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name4-[(2-fluoro-5-hexan-3-ylphenyl)methyl]morpholine
SMILESCCCC(CC)c1ccc(F)c(CN2CCOCC2)c1
InChIInChI=1S/C17H26FNO/c1-3-5-14(4-2)15-6-7-17(18)16(12-15)13-19-8-10-20-11-9-19/h6-7,12,14H,3-5,8-11,13H2,1-2H3
InChIKeyBGSJGACXJBLKBR-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-fluoro-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]propan-2-amine
CID 107454933
2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 117421534
4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine
CID 59543863
4-amino-4-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]butanoic acid
CID 117477615
2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol
CID 3338042
ethyl 2-hydroxy-2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]acetate
CID 117494133
2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-methylpropan-1-ol
CID 117422004
4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride
CID 165434083
4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane
CID 143579646
4-decan-3-yl-1,2-difluorobenzene
CID 129157108
4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine
CID 146419337
4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride
CID 660603

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-5-hexan-3-ylphenyl)methyl]morpholine?
The IUPAC name of 4-[(2-fluoro-5-hexan-3-ylphenyl)methyl]morpholine (CID 143689064) is 4-[(2-fluoro-5-hexan-3-ylphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(2-fluoro-5-hexan-3-ylphenyl)methyl]morpholine?
The canonical SMILES for 4-[(2-fluoro-5-hexan-3-ylphenyl)methyl]morpholine is CCCC(CC)c1ccc(F)c(CN2CCOCC2)c1.
What is the InChIKey of 4-[(2-fluoro-5-hexan-3-ylphenyl)methyl]morpholine?
The InChIKey is BGSJGACXJBLKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-5-14(4-2)15-6-7-17(18)16(12-15)13-19-8-10-20-11-9-19/h6-7,12,14H,3-5,8-11,13H2,1-2H3.
What are the key properties of 4-[(2-fluoro-5-hexan-3-ylphenyl)methyl]morpholine?
4-[(2-fluoro-5-hexan-3-ylphenyl)methyl]morpholine has a molecular weight of 279.40 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-5-hexan-3-ylphenyl)methyl]morpholine is sourced from PubChem (CID 143689064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).