1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine

C18H18N2 — CID 3459519

IUPAC1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine
SMILESCC(C)c1ccc(/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H18N2/c1-13(2)14-7-9-16(10-8-14)19-11-15-12-20-18-6-4-3-5-17(15)18/h3-13,20H,1-2H3/b19-11+
InChIKeySMADIUSOEULSCQ-YBFXNURJSA-N
MW262.36 g/mol
LogP5.04
Rot. Bonds3

About 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine

1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine (PubChem CID 3459519) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine
PubChem CID3459519
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine
SMILESCC(C)c1ccc(/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H18N2/c1-13(2)14-7-9-16(10-8-14)19-11-15-12-20-18-6-4-3-5-17(15)18/h3-13,20H,1-2H3/b19-11+
InChIKeySMADIUSOEULSCQ-YBFXNURJSA-N
XLogP5.04
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.36
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine
CID 177388523
1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 135719312
1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine
CID 3742458
2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid
CID 139080072
[3-(1H-indol-3-ylmethylideneamino)phenyl]methanol
CID 681868
N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine
CID 693741
2-(1H-indol-3-ylmethylideneamino)benzonitrile
CID 686965
N-(1H-indol-3-yl)-1-[2-(1H-indol-3-yliminomethyl)phenyl]methanimine
CID 66551006
N-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine
CID 135686999
(E)-3-(4-ethoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one
CID 136798732
N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline
CID 135571922
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine
CID 135558233

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine?
The IUPAC name of 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine (CID 3459519) is 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine?
The canonical SMILES for 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine is CC(C)c1ccc(/N=C/c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine?
The InChIKey is SMADIUSOEULSCQ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H18N2/c1-13(2)14-7-9-16(10-8-14)19-11-15-12-20-18-6-4-3-5-17(15)18/h3-13,20H,1-2H3/b19-11+.
What are the key properties of 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine?
1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine has a molecular weight of 262.36 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine is sourced from PubChem (CID 3459519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).