4-[3-fluoro-4-propan-2-yl-5-(pyrrolidin-1-ylmethyl)phenyl]morpholine

C18H27FN2O — CID 170587537

IUPAC4-[3-fluoro-4-propan-2-yl-5-(pyrrolidin-1-ylmethyl)phenyl]morpholine
SMILESCC(C)c1c(F)cc(N2CCOCC2)cc1CN1CCCC1
InChIInChI=1S/C18H27FN2O/c1-14(2)18-15(13-20-5-3-4-6-20)11-16(12-17(18)19)21-7-9-22-10-8-21/h11-12,14H,3-10,13H2,1-2H3
InChIKeyDXTLYJHUQWBNDB-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.38
Rot. Bonds4

About 4-[3-fluoro-4-propan-2-yl-5-(pyrrolidin-1-ylmethyl)phenyl]morpholine

4-[3-fluoro-4-propan-2-yl-5-(pyrrolidin-1-ylmethyl)phenyl]morpholine (PubChem CID 170587537) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-[3-fluoro-4-propan-2-yl-5-(pyrrolidin-1-ylmethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[3-fluoro-4-propan-2-yl-5-(pyrrolidin-1-ylmethyl)phenyl]morpholine
PubChem CID170587537
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC Name4-[3-fluoro-4-propan-2-yl-5-(pyrrolidin-1-ylmethyl)phenyl]morpholine
SMILESCC(C)c1c(F)cc(N2CCOCC2)cc1CN1CCCC1
InChIInChI=1S/C18H27FN2O/c1-14(2)18-15(13-20-5-3-4-6-20)11-16(12-17(18)19)21-7-9-22-10-8-21/h11-12,14H,3-10,13H2,1-2H3
InChIKeyDXTLYJHUQWBNDB-UHFFFAOYSA-N
XLogP3.38
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluoro-5-propan-2-ylphenyl)morpholine
CID 58780458
2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
CID 90293198
N-[[4-fluoro-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]propan-2-amine
CID 107454933
2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane
CID 170587481
4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine
CID 146419337
2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol
CID 3338042
[2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine
CID 115366849
3-(2,2-difluoroethyl)-4-(3,5-difluoro-4-propan-2-ylphenyl)morpholine
CID 170587152
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde
CID 170587273
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine
CID 59543863

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-propan-2-yl-5-(pyrrolidin-1-ylmethyl)phenyl]morpholine?
The IUPAC name of 4-[3-fluoro-4-propan-2-yl-5-(pyrrolidin-1-ylmethyl)phenyl]morpholine (CID 170587537) is 4-[3-fluoro-4-propan-2-yl-5-(pyrrolidin-1-ylmethyl)phenyl]morpholine.
What is the SMILES notation for 4-[3-fluoro-4-propan-2-yl-5-(pyrrolidin-1-ylmethyl)phenyl]morpholine?
The canonical SMILES for 4-[3-fluoro-4-propan-2-yl-5-(pyrrolidin-1-ylmethyl)phenyl]morpholine is CC(C)c1c(F)cc(N2CCOCC2)cc1CN1CCCC1.
What is the InChIKey of 4-[3-fluoro-4-propan-2-yl-5-(pyrrolidin-1-ylmethyl)phenyl]morpholine?
The InChIKey is DXTLYJHUQWBNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-14(2)18-15(13-20-5-3-4-6-20)11-16(12-17(18)19)21-7-9-22-10-8-21/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of 4-[3-fluoro-4-propan-2-yl-5-(pyrrolidin-1-ylmethyl)phenyl]morpholine?
4-[3-fluoro-4-propan-2-yl-5-(pyrrolidin-1-ylmethyl)phenyl]morpholine has a molecular weight of 306.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-propan-2-yl-5-(pyrrolidin-1-ylmethyl)phenyl]morpholine is sourced from PubChem (CID 170587537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).