N-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine

C22H24N2O — CID 50855445

IUPACN-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine
SMILESCCC(C)c1ccc(/N=C/c2ccn(-c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C22H24N2O/c1-4-17(2)19-5-7-20(8-6-19)23-15-18-13-14-24(16-18)21-9-11-22(25-3)12-10-21/h5-17H,4H2,1-3H3/b23-15+
InChIKeyCWUWJNRPRQLQTF-HZHRSRAPSA-N
MW332.45 g/mol
LogP5.75
Rot. Bonds6

About N-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine

N-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine (PubChem CID 50855445) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine
PubChem CID50855445
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC NameN-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine
SMILESCCC(C)c1ccc(/N=C/c2ccn(-c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C22H24N2O/c1-4-17(2)19-5-7-20(8-6-19)23-15-18-13-14-24(16-18)21-9-11-22(25-3)12-10-21/h5-17H,4H2,1-3H3/b23-15+
InChIKeyCWUWJNRPRQLQTF-HZHRSRAPSA-N
XLogP5.75
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine
CID 50855511
4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline
CID 50855638
N-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine
CID 50855266
1-[1-(4-methoxyphenyl)pyrrol-3-yl]-N-[4-(4-nitrophenyl)sulfanylphenyl]methanimine
CID 50855596
(5S)-5-[[4-[(2R)-butan-2-yl]phenyl]iminomethyl]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 7340667
2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126246659
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine
CID 50855490
2-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]indene-1,3-dione
CID 50855335
1-(4-methoxyphenyl)-N-(4-propoxyphenyl)methanimine
CID 71354195
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine
CID 126016158

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine?
The IUPAC name of N-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine (CID 50855445) is N-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine?
The canonical SMILES for N-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine is CCC(C)c1ccc(/N=C/c2ccn(-c3ccc(OC)cc3)c2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine?
The InChIKey is CWUWJNRPRQLQTF-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H24N2O/c1-4-17(2)19-5-7-20(8-6-19)23-15-18-13-14-24(16-18)21-9-11-22(25-3)12-10-21/h5-17H,4H2,1-3H3/b23-15+.
What are the key properties of N-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine?
N-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine has a molecular weight of 332.45 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine is sourced from PubChem (CID 50855445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).