1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine

C11H14ClNO — CID 71378549

IUPAC1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine
SMILESCCC(N=Cc1ccc(Cl)cc1)OC
InChIInChI=1S/C11H14ClNO/c1-3-11(14-2)13-8-9-4-6-10(12)7-5-9/h4-8,11H,3H2,1-2H3
InChIKeyLATHYXGSJKCYML-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.14
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine

1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine (PubChem CID 71378549) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine
PubChem CID71378549
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine
SMILESCCC(N=Cc1ccc(Cl)cc1)OC
InChIInChI=1S/C11H14ClNO/c1-3-11(14-2)13-8-9-4-6-10(12)7-5-9/h4-8,11H,3H2,1-2H3
InChIKeyLATHYXGSJKCYML-UHFFFAOYSA-N
XLogP3.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-propan-2-ylmethanimine
CID 11622447
1-(4-chlorophenyl)-N-ethylmethanimine
CID 12927004
(Z)-1-(4-chlorophenyl)-N-methoxymethanimine
CID 5374184
methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate
CID 86171147
ethyl 2-[(4-chlorophenyl)methylideneamino]-2-phenylacetate
CID 10662075
1-chloro-1-[(4-chlorophenyl)methylideneamino]propan-2-ol
CID 67465874
2-[(4-chlorophenyl)methylideneamino]propanoate
CID 19426325
(E)-1-(4-chlorophenyl)-N-[[(E)-(4-chlorophenyl)methylideneamino]-phenylmethyl]methanimine
CID 24721019
1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine
CID 92541995
(2R)-2-[(4-chlorophenyl)methylideneamino]-2-phenylethanol
CID 11253959
ethane;fluoro 2-[(4-chlorophenyl)methylideneamino]-3-(4-methylphenyl)propanoate
CID 143230724
CID 10012124
CID 10012124

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine (CID 71378549) is 1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine is CCC(N=Cc1ccc(Cl)cc1)OC.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine?
The InChIKey is LATHYXGSJKCYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-11(14-2)13-8-9-4-6-10(12)7-5-9/h4-8,11H,3H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine?
1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine has a molecular weight of 211.69 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine is sourced from PubChem (CID 71378549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).