N-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine

C19H19ClN2 — CID 139216022

IUPACN-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine
SMILESCCCC/N=C/c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C19H19ClN2/c1-2-3-12-21-13-17-16-6-4-5-7-18(16)22-19(17)14-8-10-15(20)11-9-14/h4-11,13,22H,2-3,12H2,1H3/b21-13+
InChIKeyYEHBIIAPIJRUTP-FYJGNVAPSA-N
MW310.83 g/mol
LogP5.71
Rot. Bonds5

About N-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine

N-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine (PubChem CID 139216022) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine.

Molecular Properties

Compound NameN-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine
PubChem CID139216022
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC NameN-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine
SMILESCCCC/N=C/c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C19H19ClN2/c1-2-3-12-21-13-17-16-6-4-5-7-18(16)22-19(17)14-8-10-15(20)11-9-14/h4-11,13,22H,2-3,12H2,1H3/b21-13+
InChIKeyYEHBIIAPIJRUTP-FYJGNVAPSA-N
XLogP5.71
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.83
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methylidene]hydroxylamine
CID 136702122
N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 135847970
1-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 135713209
1-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[2-(1H-indol-2-yl)phenyl]methanimine
CID 137206000
(2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135778125
(E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine
CID 135951794
2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline
CID 137226357
3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol
CID 2034851
N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide
CID 136852078
1-(pentyliminomethyl)naphthalen-2-ol
CID 137231972
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
CID 71517931
bis(9H-carbazole);propane
CID 90987002

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine?
The IUPAC name of N-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine (CID 139216022) is N-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine.
What is the SMILES notation for N-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine?
The canonical SMILES for N-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine is CCCC/N=C/c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of N-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine?
The InChIKey is YEHBIIAPIJRUTP-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H19ClN2/c1-2-3-12-21-13-17-16-6-4-5-7-18(16)22-19(17)14-8-10-15(20)11-9-14/h4-11,13,22H,2-3,12H2,1H3/b21-13+.
What are the key properties of N-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine?
N-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine has a molecular weight of 310.83 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine is sourced from PubChem (CID 139216022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).