N-ethyl-N-[[3-fluoro-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-methoxyaniline

C22H29FN2O2 — CID 142915382

IUPACN-ethyl-N-[[3-fluoro-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-methoxyaniline
SMILESCCN(Cc1ccc(OC2CCN(C)CC2)c(F)c1)c1cccc(OC)c1
InChIInChI=1S/C22H29FN2O2/c1-4-25(18-6-5-7-20(15-18)26-3)16-17-8-9-22(21(23)14-17)27-19-10-12-24(2)13-11-19/h5-9,14-15,19H,4,10-13,16H2,1-3H3
InChIKeyQKJUXKBQCXJPGK-UHFFFAOYSA-N
MW372.48 g/mol
LogP4.33
Rot. Bonds7

About N-ethyl-N-[[3-fluoro-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-methoxyaniline

N-ethyl-N-[[3-fluoro-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-methoxyaniline (PubChem CID 142915382) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is N-ethyl-N-[[3-fluoro-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-ethyl-N-[[3-fluoro-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-methoxyaniline
PubChem CID142915382
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC NameN-ethyl-N-[[3-fluoro-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-methoxyaniline
SMILESCCN(Cc1ccc(OC2CCN(C)CC2)c(F)c1)c1cccc(OC)c1
InChIInChI=1S/C22H29FN2O2/c1-4-25(18-6-5-7-20(15-18)26-3)16-17-8-9-22(21(23)14-17)27-19-10-12-24(2)13-11-19/h5-9,14-15,19H,4,10-13,16H2,1-3H3
InChIKeyQKJUXKBQCXJPGK-UHFFFAOYSA-N
XLogP4.33
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915056
N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915269
acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915002
2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde
CID 155065101
N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915017
N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline
CID 142915200
N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915130
1-[4-[2-[3-[(N-ethyl-3-methoxyanilino)methyl]phenoxy]ethyl]piperazin-1-yl]ethanone
CID 68857180
3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
CID 39358271
N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 138518668
N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915240
N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline
CID 142915296

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-fluoro-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-methoxyaniline?
The IUPAC name of N-ethyl-N-[[3-fluoro-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-methoxyaniline (CID 142915382) is N-ethyl-N-[[3-fluoro-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-methoxyaniline.
What is the SMILES notation for N-ethyl-N-[[3-fluoro-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-methoxyaniline?
The canonical SMILES for N-ethyl-N-[[3-fluoro-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-methoxyaniline is CCN(Cc1ccc(OC2CCN(C)CC2)c(F)c1)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-N-[[3-fluoro-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-methoxyaniline?
The InChIKey is QKJUXKBQCXJPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O2/c1-4-25(18-6-5-7-20(15-18)26-3)16-17-8-9-22(21(23)14-17)27-19-10-12-24(2)13-11-19/h5-9,14-15,19H,4,10-13,16H2,1-3H3.
What are the key properties of N-ethyl-N-[[3-fluoro-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-methoxyaniline?
N-ethyl-N-[[3-fluoro-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-methoxyaniline has a molecular weight of 372.48 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-fluoro-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-methoxyaniline is sourced from PubChem (CID 142915382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).