N-(2,6-dimethylphenyl)-1-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]methanimine

C28H33NO — CID 73056847

IUPACN-(2,6-dimethylphenyl)-1-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]methanimine
SMILESCc1cccc(C)c1/N=C/c1cccc(COc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C28H33NO/c1-19(2)25-14-9-15-26(20(3)4)28(25)30-18-24-13-8-12-23(16-24)17-29-27-21(5)10-7-11-22(27)6/h7-17,19-20H,18H2,1-6H3/b29-17+
InChIKeyIBAGNTGSPRBWMY-STBIYBPSSA-N
MW399.58 g/mol
LogP7.88
Rot. Bonds7

About N-(2,6-dimethylphenyl)-1-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]methanimine

N-(2,6-dimethylphenyl)-1-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]methanimine (PubChem CID 73056847) has the molecular formula C28H33NO and a molecular weight of 399.58 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]methanimine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]methanimine
PubChem CID73056847
Molecular FormulaC28H33NO
Molecular Weight399.58 g/mol
Exact Mass399.26
IUPAC NameN-(2,6-dimethylphenyl)-1-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]methanimine
SMILESCc1cccc(C)c1/N=C/c1cccc(COc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C28H33NO/c1-19(2)25-14-9-15-26(20(3)4)28(25)30-18-24-13-8-12-23(16-24)17-29-27-21(5)10-7-11-22(27)6/h7-17,19-20H,18H2,1-6H3/b29-17+
InChIKeyIBAGNTGSPRBWMY-STBIYBPSSA-N
XLogP7.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 57.88
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

N-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 23761180
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
CID 170547313
(2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal
CID 141427213
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2755070
1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 82088753
1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126209246
2-phenylmethoxy-1-propan-2-yl-3-[(E)-prop-1-enyl]benzene
CID 168954401
N-[[3-[(2,6-difluorophenoxy)methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617523
N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine
CID 126220024
N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 126214778
2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene
CID 134985935

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]methanimine?
The IUPAC name of N-(2,6-dimethylphenyl)-1-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]methanimine (CID 73056847) is N-(2,6-dimethylphenyl)-1-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]methanimine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]methanimine?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]methanimine is Cc1cccc(C)c1/N=C/c1cccc(COc2c(C(C)C)cccc2C(C)C)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]methanimine?
The InChIKey is IBAGNTGSPRBWMY-STBIYBPSSA-N. The full InChI is InChI=1S/C28H33NO/c1-19(2)25-14-9-15-26(20(3)4)28(25)30-18-24-13-8-12-23(16-24)17-29-27-21(5)10-7-11-22(27)6/h7-17,19-20H,18H2,1-6H3/b29-17+.
What are the key properties of N-(2,6-dimethylphenyl)-1-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]methanimine?
N-(2,6-dimethylphenyl)-1-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]methanimine has a molecular weight of 399.58 g/mol, XLogP of 7.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]methanimine is sourced from PubChem (CID 73056847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).