N-(1-methoxybutyl)-1-phenylmethanimine

C12H17NO — CID 172876357

IUPACN-(1-methoxybutyl)-1-phenylmethanimine
SMILESCCCC(N=Cc1ccccc1)OC
InChIInChI=1S/C12H17NO/c1-3-7-12(14-2)13-10-11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3
InChIKeySODKKSHITZOVNF-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.88
Rot. Bonds5

About N-(1-methoxybutyl)-1-phenylmethanimine

N-(1-methoxybutyl)-1-phenylmethanimine (PubChem CID 172876357) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(1-methoxybutyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(1-methoxybutyl)-1-phenylmethanimine
PubChem CID172876357
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(1-methoxybutyl)-1-phenylmethanimine
SMILESCCCC(N=Cc1ccccc1)OC
InChIInChI=1S/C12H17NO/c1-3-7-12(14-2)13-10-11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3
InChIKeySODKKSHITZOVNF-UHFFFAOYSA-N
XLogP2.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.88
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

Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
Ethanamine, N-(phenylmethylene)-
CID 111239
N-methyl-alpha-phenylnitrone
CID 819870
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
N-Benzylidenepropylamine
CID 250250
Diethyl ((benzylideneamino)methyl)phosphonate
CID 9582088
Decylamine, N-benzylidene-
CID 525554
Butylamine, N-benzylidene-
CID 296031
N-(diethoxyphosphorylmethyl)-1-phenylmethanimine
CID 2773681
2-[(Phenylmethylene)amino]ethanol
CID 97677
(E)-N-methoxy-1-[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methanimine
CID 142575056

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutyl)-1-phenylmethanimine?
The IUPAC name of N-(1-methoxybutyl)-1-phenylmethanimine (CID 172876357) is N-(1-methoxybutyl)-1-phenylmethanimine.
What is the SMILES notation for N-(1-methoxybutyl)-1-phenylmethanimine?
The canonical SMILES for N-(1-methoxybutyl)-1-phenylmethanimine is CCCC(N=Cc1ccccc1)OC.
What is the InChIKey of N-(1-methoxybutyl)-1-phenylmethanimine?
The InChIKey is SODKKSHITZOVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-7-12(14-2)13-10-11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3.
What are the key properties of N-(1-methoxybutyl)-1-phenylmethanimine?
N-(1-methoxybutyl)-1-phenylmethanimine has a molecular weight of 191.27 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutyl)-1-phenylmethanimine is sourced from PubChem (CID 172876357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).