4-chloro-1-methoxy-2-propylbenzene;1-(6-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-imine

C20H26Cl2N2O — CID 165125638

IUPAC4-chloro-1-methoxy-2-propylbenzene;1-(6-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-imine
SMILESCCCc1cc(Cl)ccc1OC.[H]/N=C(/c1cnc(Cl)cc1C)C(C)C
InChIInChI=1S/C10H13ClN2.C10H13ClO/c1-6(2)10(12)8-5-13-9(11)4-7(8)3;1-3-4-8-7-9(11)5-6-10(8)12-2/h4-6,12H,1-3H3;5-7H,3-4H2,1-2H3/b12-10+;
InChIKeyAXMLKRSLMMARGJ-VHPXAQPISA-N
MW381.35 g/mol
LogP6.37
Rot. Bonds5

About 4-chloro-1-methoxy-2-propylbenzene;1-(6-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-imine

4-chloro-1-methoxy-2-propylbenzene;1-(6-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-imine (PubChem CID 165125638) has the molecular formula C20H26Cl2N2O and a molecular weight of 381.35 g/mol. Its IUPAC name is 4-chloro-1-methoxy-2-propylbenzene;1-(6-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-imine.

Molecular Properties

Compound Name4-chloro-1-methoxy-2-propylbenzene;1-(6-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-imine
PubChem CID165125638
Molecular FormulaC20H26Cl2N2O
Molecular Weight381.35 g/mol
Exact Mass380.14
IUPAC Name4-chloro-1-methoxy-2-propylbenzene;1-(6-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-imine
SMILESCCCc1cc(Cl)ccc1OC.[H]/N=C(/c1cnc(Cl)cc1C)C(C)C
InChIInChI=1S/C10H13ClN2.C10H13ClO/c1-6(2)10(12)8-5-13-9(11)4-7(8)3;1-3-4-8-7-9(11)5-6-10(8)12-2/h4-6,12H,1-3H3;5-7H,3-4H2,1-2H3/b12-10+;
InChIKeyAXMLKRSLMMARGJ-VHPXAQPISA-N
XLogP6.37
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.35
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-chloro-1-methoxy-2-propylbenzene;ethane;1-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-2-methylbutan-1-imine;(Z)-5-methylhept-3-ene;N-propylpropan-1-amine
CID 165125600
3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657180
(4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone
CID 166082039
4-chloro-2-(3-chlorohexyl)-1-methoxybenzene
CID 63460736
4-chloro-1-methoxy-2-(7-propan-2-ylsulfonylheptyl)benzene
CID 160748743
4-(5-chloro-2-methoxyphenyl)butan-1-ol
CID 64513423
2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine
CID 145142821
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 63400119
2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877516
4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine
CID 112519015
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
CID 63562020

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methoxy-2-propylbenzene;1-(6-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-imine?
The IUPAC name of 4-chloro-1-methoxy-2-propylbenzene;1-(6-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-imine (CID 165125638) is 4-chloro-1-methoxy-2-propylbenzene;1-(6-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-imine.
What is the SMILES notation for 4-chloro-1-methoxy-2-propylbenzene;1-(6-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-imine?
The canonical SMILES for 4-chloro-1-methoxy-2-propylbenzene;1-(6-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-imine is CCCc1cc(Cl)ccc1OC.[H]/N=C(/c1cnc(Cl)cc1C)C(C)C.
What is the InChIKey of 4-chloro-1-methoxy-2-propylbenzene;1-(6-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-imine?
The InChIKey is AXMLKRSLMMARGJ-VHPXAQPISA-N. The full InChI is InChI=1S/C10H13ClN2.C10H13ClO/c1-6(2)10(12)8-5-13-9(11)4-7(8)3;1-3-4-8-7-9(11)5-6-10(8)12-2/h4-6,12H,1-3H3;5-7H,3-4H2,1-2H3/b12-10+;.
What are the key properties of 4-chloro-1-methoxy-2-propylbenzene;1-(6-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-imine?
4-chloro-1-methoxy-2-propylbenzene;1-(6-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-imine has a molecular weight of 381.35 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methoxy-2-propylbenzene;1-(6-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-imine is sourced from PubChem (CID 165125638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).