N-(3-chlorophenyl)-4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline

C23H23ClN2O3 — CID 18453298

IUPACN-(3-chlorophenyl)-4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline
SMILESCOc1ccc(N(Cc2cccnc2)c2cccc(Cl)c2)cc1OC1CCCO1
InChIInChI=1S/C23H23ClN2O3/c1-27-21-10-9-20(14-22(21)29-23-8-4-12-28-23)26(16-17-5-3-11-25-15-17)19-7-2-6-18(24)13-19/h2-3,5-7,9-11,13-15,23H,4,8,12,16H2,1H3
InChIKeyWSFWQHOXVWYXPZ-UHFFFAOYSA-N
MW410.90 g/mol
LogP5.60
Rot. Bonds7

About N-(3-chlorophenyl)-4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline

N-(3-chlorophenyl)-4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline (PubChem CID 18453298) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline
PubChem CID18453298
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC NameN-(3-chlorophenyl)-4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline
SMILESCOc1ccc(N(Cc2cccnc2)c2cccc(Cl)c2)cc1OC1CCCO1
InChIInChI=1S/C23H23ClN2O3/c1-27-21-10-9-20(14-22(21)29-23-8-4-12-28-23)26(16-17-5-3-11-25-15-17)19-7-2-6-18(24)13-19/h2-3,5-7,9-11,13-15,23H,4,8,12,16H2,1H3
InChIKeyWSFWQHOXVWYXPZ-UHFFFAOYSA-N
XLogP5.60
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.90
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]phenyl]methanol
CID 68953171
3-cyclopentyloxy-4-methoxy-N-[4-(oxolan-2-yloxy)phenyl]-N-(pyridin-3-ylmethyl)aniline
CID 22747709
4-methoxy-N-(3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline
CID 68954680
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline
CID 68952987
3-[4-(difluoromethoxy)-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]benzoic acid
CID 68950967
N-(3-fluorophenyl)sulfonyl-4-[4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]benzamide
CID 68951256
N-(3-chloro-4-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 10224353
tert-butyl 3-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoate
CID 10457620
3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline
CID 22747558
3-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-(oxan-2-yl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)aniline
CID 68953150
N-(3-cyclopentyloxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 22747548
tert-butyl 4-[3-cyclohexyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoate
CID 91138588

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of N-(3-chlorophenyl)-4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline (CID 18453298) is N-(3-chlorophenyl)-4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for N-(3-chlorophenyl)-4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for N-(3-chlorophenyl)-4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline is COc1ccc(N(Cc2cccnc2)c2cccc(Cl)c2)cc1OC1CCCO1.
What is the InChIKey of N-(3-chlorophenyl)-4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is WSFWQHOXVWYXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-27-21-10-9-20(14-22(21)29-23-8-4-12-28-23)26(16-17-5-3-11-25-15-17)19-7-2-6-18(24)13-19/h2-3,5-7,9-11,13-15,23H,4,8,12,16H2,1H3.
What are the key properties of N-(3-chlorophenyl)-4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline?
N-(3-chlorophenyl)-4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 410.90 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-methoxy-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 18453298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).