N-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine

C22H21NO — CID 71137440

IUPACN-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine
SMILESCC(C)Oc1c(/C=N/c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C22H21NO/c1-17(2)24-22-19(16-23-20-13-7-4-8-14-20)12-9-15-21(22)18-10-5-3-6-11-18/h3-17H,1-2H3/b23-16+
InChIKeyKNPWNDZHXBQNBI-XQNSMLJCSA-N
MW315.42 g/mol
LogP5.89
Rot. Bonds5

About N-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine

N-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine (PubChem CID 71137440) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is N-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine.

Molecular Properties

Compound NameN-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine
PubChem CID71137440
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC NameN-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine
SMILESCC(C)Oc1c(/C=N/c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C22H21NO/c1-17(2)24-22-19(16-23-20-13-7-4-8-14-20)12-9-15-21(22)18-10-5-3-6-11-18/h3-17H,1-2H3/b23-16+
InChIKeyKNPWNDZHXBQNBI-XQNSMLJCSA-N
XLogP5.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.89
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-methyl-3-phenyl-2-propan-2-yloxybenzene
CID 101215172
chlorocopper(1+);2-phenyl-6-(phenyliminomethyl)benzenethiolate
CID 58635686
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
(3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171037647
N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine
CID 126016158
N-[4-[(2S)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine
CID 126016161
1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
CID 71329126
1-(2-bromoethyl)-3-phenyl-2-propan-2-yloxybenzene
CID 175251474
1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine
CID 142925888
N-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine
CID 122545420
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
1,3-bis(3,5-ditert-butylphenyl)-2H-imidazole;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 22833747

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine?
The IUPAC name of N-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine (CID 71137440) is N-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine.
What is the SMILES notation for N-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine?
The canonical SMILES for N-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine is CC(C)Oc1c(/C=N/c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of N-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine?
The InChIKey is KNPWNDZHXBQNBI-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H21NO/c1-17(2)24-22-19(16-23-20-13-7-4-8-14-20)12-9-15-21(22)18-10-5-3-6-11-18/h3-17H,1-2H3/b23-16+.
What are the key properties of N-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine?
N-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine has a molecular weight of 315.42 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine is sourced from PubChem (CID 71137440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).