[1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride

C19H24Cl2N2O4 — CID 87573465

IUPAC[1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride
SMILESCOc1cc(-c2cc(OCC3(CN)CC3)cnc2Cl)cc(OC)c1OC.Cl
InChIInChI=1S/C19H23ClN2O4.ClH/c1-23-15-6-12(7-16(24-2)17(15)25-3)14-8-13(9-22-18(14)20)26-11-19(10-21)4-5-19;/h6-9H,4-5,10-11,21H2,1-3H3;1H
InChIKeyRSVUTCDWEDBDMG-UHFFFAOYSA-N
MW415.32 g/mol
LogP3.97
Rot. Bonds8

About [1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride

[1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride (PubChem CID 87573465) has the molecular formula C19H24Cl2N2O4 and a molecular weight of 415.32 g/mol. Its IUPAC name is [1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride
PubChem CID87573465
Molecular FormulaC19H24Cl2N2O4
Molecular Weight415.32 g/mol
Exact Mass414.11
IUPAC Name[1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride
SMILESCOc1cc(-c2cc(OCC3(CN)CC3)cnc2Cl)cc(OC)c1OC.Cl
InChIInChI=1S/C19H23ClN2O4.ClH/c1-23-15-6-12(7-16(24-2)17(15)25-3)14-8-13(9-22-18(14)20)26-11-19(10-21)4-5-19;/h6-9H,4-5,10-11,21H2,1-3H3;1H
InChIKeyRSVUTCDWEDBDMG-UHFFFAOYSA-N
XLogP3.97
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride with MolForge

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Related Compounds

[1-[[5-(3-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;dihydrochloride
CID 68780892
[1-[(6-fluoro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]cyclopropyl]methanamine;dihydrochloride
CID 68780926
[1-[[6-chloro-5-(4-methylphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid
CID 87486064
tert-butyl-[[1-[[6-chloro-5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamic acid
CID 87572085
3-[5-[[1-(aminomethyl)cyclopropyl]methoxy]-2-fluoro-3-pyridinyl]aniline;dihydrochloride
CID 68779391
1-[(6-chloro-5-pyridin-4-yl-3-pyridinyl)oxymethyl]-N-methylcyclopropan-1-amine
CID 87485485
N-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine
CID 68530219
[1-[[5-(2,6-dichlorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine
CID 68527294
2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine
CID 130188351
2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine
CID 15154294
[1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride
CID 170900192
[1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine
CID 84686797

Frequently Asked Questions

What is the IUPAC name of [1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride (CID 87573465) is [1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride is COc1cc(-c2cc(OCC3(CN)CC3)cnc2Cl)cc(OC)c1OC.Cl.
What is the InChIKey of [1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride?
The InChIKey is RSVUTCDWEDBDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4.ClH/c1-23-15-6-12(7-16(24-2)17(15)25-3)14-8-13(9-22-18(14)20)26-11-19(10-21)4-5-19;/h6-9H,4-5,10-11,21H2,1-3H3;1H.
What are the key properties of [1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride?
[1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride has a molecular weight of 415.32 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 87573465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).