1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)methanimine

C19H21ClN2O3 — CID 3607678

IUPAC1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)methanimine
SMILESCOc1cc(/C=N/CC2CCCO2)ccc1OCc1ccc(Cl)nc1
InChIInChI=1S/C19H21ClN2O3/c1-23-18-9-14(10-21-12-16-3-2-8-24-16)4-6-17(18)25-13-15-5-7-19(20)22-11-15/h4-7,9-11,16H,2-3,8,12-13H2,1H3/b21-10+
InChIKeyLAWRUBRIRALFEC-UFFVCSGVSA-N
MW360.84 g/mol
LogP3.92
Rot. Bonds7

About 1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)methanimine

1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)methanimine (PubChem CID 3607678) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)methanimine.

Molecular Properties

Compound Name1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)methanimine
PubChem CID3607678
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)methanimine
SMILESCOc1cc(/C=N/CC2CCCO2)ccc1OCc1ccc(Cl)nc1
InChIInChI=1S/C19H21ClN2O3/c1-23-18-9-14(10-21-12-16-3-2-8-24-16)4-6-17(18)25-13-15-5-7-19(20)22-11-15/h4-7,9-11,16H,2-3,8,12-13H2,1H3/b21-10+
InChIKeyLAWRUBRIRALFEC-UFFVCSGVSA-N
XLogP3.92
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7579610
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-ethoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 17055819
[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium
CID 7600659
2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 103866434
1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-(oxolan-2-ylmethyl)thiourea
CID 5224152
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 110340188
N-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 23878734
[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium
CID 7247646
(NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 5350145
1-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-(oxolan-2-ylmethyl)thiourea
CID 3884950
2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane
CID 65162791
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine
CID 4719560

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)methanimine?
The IUPAC name of 1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)methanimine (CID 3607678) is 1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)methanimine.
What is the SMILES notation for 1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)methanimine?
The canonical SMILES for 1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)methanimine is COc1cc(/C=N/CC2CCCO2)ccc1OCc1ccc(Cl)nc1.
What is the InChIKey of 1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)methanimine?
The InChIKey is LAWRUBRIRALFEC-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-23-18-9-14(10-21-12-16-3-2-8-24-16)4-6-17(18)25-13-15-5-7-19(20)22-11-15/h4-7,9-11,16H,2-3,8,12-13H2,1H3/b21-10+.
What are the key properties of 1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)methanimine?
1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)methanimine has a molecular weight of 360.84 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)methanimine is sourced from PubChem (CID 3607678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).