N-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-2,3-dimethylaniline

C23H30FN3O — CID 170342269

IUPACN-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-2,3-dimethylaniline
SMILESCc1cccc(NCc2ccc(CN3CC(N4CCOCC4)C3)cc2F)c1C
InChIInChI=1S/C23H30FN3O/c1-17-4-3-5-23(18(17)2)25-13-20-7-6-19(12-22(20)24)14-26-15-21(16-26)27-8-10-28-11-9-27/h3-7,12,21,25H,8-11,13-16H2,1-2H3
InChIKeyVVFRAVTWGNEXTO-UHFFFAOYSA-N
MW383.51 g/mol
LogP3.57
Rot. Bonds6

About N-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-2,3-dimethylaniline

N-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-2,3-dimethylaniline (PubChem CID 170342269) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-2,3-dimethylaniline
PubChem CID170342269
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC NameN-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-2,3-dimethylaniline
SMILESCc1cccc(NCc2ccc(CN3CC(N4CCOCC4)C3)cc2F)c1C
InChIInChI=1S/C23H30FN3O/c1-17-4-3-5-23(18(17)2)25-13-20-7-6-19(12-22(20)24)14-26-15-21(16-26)27-8-10-28-11-9-27/h3-7,12,21,25H,8-11,13-16H2,1-2H3
InChIKeyVVFRAVTWGNEXTO-UHFFFAOYSA-N
XLogP3.57
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-2,3-dimethylaniline with MolForge

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Related Compounds

2-[(3R)-2,6-dioxopiperidin-3-yl]-4-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-dione
CID 146195578
2-(2,6-dioxopiperidin-3-yl)-4-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-dione;hydrochloride
CID 175513193
2-(2,6-dioxopiperidin-3-yl)-4-[[2-fluoro-4-[[3-[(2S)-2-methylmorpholin-4-yl]azetidin-1-yl]methyl]phenyl]methylamino]isoindole-1,3-dione
CID 146209569
2-(2,6-dioxopiperidin-3-yl)-4-[[2-fluoro-4-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]methyl]phenyl]methylamino]isoindole-1,3-dione
CID 146195492
4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine
CID 172905640
3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 140817779
2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol
CID 70766914
N-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809922
N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
CID 40632168
3-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]-3-hydroxypiperidine-2,6-dione
CID 145070666
4-[[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-6-methylphenyl]methyl-ethenylamino]-2,2,3,3,4-pentahydroxy-5-(methylamino)hex-5-enal
CID 145070393
4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
CID 178059917

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-2,3-dimethylaniline?
The IUPAC name of N-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-2,3-dimethylaniline (CID 170342269) is N-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-2,3-dimethylaniline.
What is the SMILES notation for N-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-2,3-dimethylaniline?
The canonical SMILES for N-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-2,3-dimethylaniline is Cc1cccc(NCc2ccc(CN3CC(N4CCOCC4)C3)cc2F)c1C.
What is the InChIKey of N-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-2,3-dimethylaniline?
The InChIKey is VVFRAVTWGNEXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c1-17-4-3-5-23(18(17)2)25-13-20-7-6-19(12-22(20)24)14-26-15-21(16-26)27-8-10-28-11-9-27/h3-7,12,21,25H,8-11,13-16H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-2,3-dimethylaniline?
N-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-2,3-dimethylaniline has a molecular weight of 383.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-2,3-dimethylaniline is sourced from PubChem (CID 170342269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).