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

C17H20N2O3 — CID 22747705

IUPAC4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline
SMILESCOc1ccc(NCc2cccnc2)cc1OC1CCOC1
InChIInChI=1S/C17H20N2O3/c1-20-16-5-4-14(19-11-13-3-2-7-18-10-13)9-17(16)22-15-6-8-21-12-15/h2-5,7,9-10,15,19H,6,8,11-12H2,1H3
InChIKeyKCWILFROEDJYBJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.87
Rot. Bonds6

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

4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline (PubChem CID 22747705) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline
PubChem CID22747705
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline
SMILESCOc1ccc(NCc2cccnc2)cc1OC1CCOC1
InChIInChI=1S/C17H20N2O3/c1-20-16-5-4-14(19-11-13-3-2-7-18-10-13)9-17(16)22-15-6-8-21-12-15/h2-5,7,9-10,15,19H,6,8,11-12H2,1H3
InChIKeyKCWILFROEDJYBJ-UHFFFAOYSA-N
XLogP2.87
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N-diethyl-4-N-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine
CID 10433759
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine
CID 152616446
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 42481284
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 45233393
5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxy-N-(pyridin-3-ylmethyl)anilino]-2-(trifluoromethyl)benzoic acid
CID 10323212
3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline
CID 91408824
2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005118
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzamide
CID 42277852
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 45234882
4-N-(3,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860813
(E)-3-(2-chlorophenyl)-N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 42366526

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline (CID 22747705) is 4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline is COc1ccc(NCc2cccnc2)cc1OC1CCOC1.
What is the InChIKey of 4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is KCWILFROEDJYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-20-16-5-4-14(19-11-13-3-2-7-18-10-13)9-17(16)22-15-6-8-21-12-15/h2-5,7,9-10,15,19H,6,8,11-12H2,1H3.
What are the key properties of 4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline?
4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 300.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 22747705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).