(2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine

C20H30FNO3 — CID 155916221

IUPAC(2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine
SMILESCCCC[C@@H]1CN(Cc2cc(OC)c(OC)cc2F)C[C@H](C2CC2)O1
InChIInChI=1S/C20H30FNO3/c1-4-5-6-16-12-22(13-20(25-16)14-7-8-14)11-15-9-18(23-2)19(24-3)10-17(15)21/h9-10,14,16,20H,4-8,11-13H2,1-3H3/t16-,20-/m1/s1
InChIKeyWSLSHYBCINFVLU-OXQOHEQNSA-N
MW351.46 g/mol
LogP4.01
Rot. Bonds8

About (2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine

(2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine (PubChem CID 155916221) has the molecular formula C20H30FNO3 and a molecular weight of 351.46 g/mol. Its IUPAC name is (2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine
PubChem CID155916221
Molecular FormulaC20H30FNO3
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name(2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine
SMILESCCCC[C@@H]1CN(Cc2cc(OC)c(OC)cc2F)C[C@H](C2CC2)O1
InChIInChI=1S/C20H30FNO3/c1-4-5-6-16-12-22(13-20(25-16)14-7-8-14)11-15-9-18(23-2)19(24-3)10-17(15)21/h9-10,14,16,20H,4-8,11-13H2,1-3H3/t16-,20-/m1/s1
InChIKeyWSLSHYBCINFVLU-OXQOHEQNSA-N
XLogP4.01
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine with MolForge

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Related Compounds

3-[[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]methyl]benzonitrile
CID 155911180
3-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 156607681
2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethyl]oxirane
CID 83922764
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine
CID 74237175
1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-6,6-dimethylazepan-4-ol
CID 131915575
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine
CID 77097951
(3S,4R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 134706673
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone
CID 134712177
(3aR,6aS)-2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylic acid
CID 166273181
4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine
CID 131930506
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone
CID 134713725
2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine
CID 95873253

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine?
The IUPAC name of (2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine (CID 155916221) is (2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine.
What is the SMILES notation for (2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine?
The canonical SMILES for (2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine is CCCC[C@@H]1CN(Cc2cc(OC)c(OC)cc2F)C[C@H](C2CC2)O1.
What is the InChIKey of (2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine?
The InChIKey is WSLSHYBCINFVLU-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H30FNO3/c1-4-5-6-16-12-22(13-20(25-16)14-7-8-14)11-15-9-18(23-2)19(24-3)10-17(15)21/h9-10,14,16,20H,4-8,11-13H2,1-3H3/t16-,20-/m1/s1.
What are the key properties of (2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine?
(2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine has a molecular weight of 351.46 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine is sourced from PubChem (CID 155916221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).