N-methoxy-1-[4-(2-methylbutyl)phenyl]-1-phenylmethanimine

C19H23NO — CID 123540898

IUPACN-methoxy-1-[4-(2-methylbutyl)phenyl]-1-phenylmethanimine
SMILESCCC(C)Cc1ccc(C(=NOC)c2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-4-15(2)14-16-10-12-18(13-11-16)19(20-21-3)17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3
InChIKeyHSMRACRNENIJRA-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.67
Rot. Bonds6

About N-methoxy-1-[4-(2-methylbutyl)phenyl]-1-phenylmethanimine

N-methoxy-1-[4-(2-methylbutyl)phenyl]-1-phenylmethanimine (PubChem CID 123540898) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-methoxy-1-[4-(2-methylbutyl)phenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-methoxy-1-[4-(2-methylbutyl)phenyl]-1-phenylmethanimine
PubChem CID123540898
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-methoxy-1-[4-(2-methylbutyl)phenyl]-1-phenylmethanimine
SMILESCCC(C)Cc1ccc(C(=NOC)c2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-4-15(2)14-16-10-12-18(13-11-16)19(20-21-3)17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3
InChIKeyHSMRACRNENIJRA-UHFFFAOYSA-N
XLogP4.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
methane;[(2R)-2-methylbutyl]benzene;(1S,2R)-2-methyl-1-phenylbutan-1-ol
CID 167593098
(benzhydrylideneamino) 2-[4-(methoxymethyl)phenyl]butanoate
CID 91477578
(Z)-N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine
CID 15144858
N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine
CID 23724221
1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone
CID 97304566
1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]phenyl]propan-2-ol
CID 10134172
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
(4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene
CID 101070141
[4-(2-methylbutyl)phenyl]boronic acid
CID 18754957
ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729
[4-[4-(2-methylbutyl)phenoxy]carbonylphenyl] 4-hydroxybenzoate
CID 143049995

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[4-(2-methylbutyl)phenyl]-1-phenylmethanimine?
The IUPAC name of N-methoxy-1-[4-(2-methylbutyl)phenyl]-1-phenylmethanimine (CID 123540898) is N-methoxy-1-[4-(2-methylbutyl)phenyl]-1-phenylmethanimine.
What is the SMILES notation for N-methoxy-1-[4-(2-methylbutyl)phenyl]-1-phenylmethanimine?
The canonical SMILES for N-methoxy-1-[4-(2-methylbutyl)phenyl]-1-phenylmethanimine is CCC(C)Cc1ccc(C(=NOC)c2ccccc2)cc1.
What is the InChIKey of N-methoxy-1-[4-(2-methylbutyl)phenyl]-1-phenylmethanimine?
The InChIKey is HSMRACRNENIJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-15(2)14-16-10-12-18(13-11-16)19(20-21-3)17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3.
What are the key properties of N-methoxy-1-[4-(2-methylbutyl)phenyl]-1-phenylmethanimine?
N-methoxy-1-[4-(2-methylbutyl)phenyl]-1-phenylmethanimine has a molecular weight of 281.40 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[4-(2-methylbutyl)phenyl]-1-phenylmethanimine is sourced from PubChem (CID 123540898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).