N-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine

C19H19ClN2O — CID 126543976

IUPACN-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine
SMILESC=NCc1cn(CCCOc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C19H19ClN2O/c1-21-13-15-14-22(18-9-4-2-7-16(15)18)11-6-12-23-19-10-5-3-8-17(19)20/h2-5,7-10,14H,1,6,11-13H2
InChIKeyATUVXFOPCCEQGC-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.96
Rot. Bonds7

About N-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine

N-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine (PubChem CID 126543976) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is N-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine.

Molecular Properties

Compound NameN-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine
PubChem CID126543976
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC NameN-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine
SMILESC=NCc1cn(CCCOc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C19H19ClN2O/c1-21-13-15-14-22(18-9-4-2-7-16(15)18)11-6-12-23-19-10-5-3-8-17(19)20/h2-5,7-10,14H,1,6,11-13H2
InChIKeyATUVXFOPCCEQGC-UHFFFAOYSA-N
XLogP4.96
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine
CID 170868081
3-[(2-chlorophenoxy)methyl]-1-methylindole
CID 117171277
(5Z)-3-butyl-5-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126131045
N-[(E)-[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine
CID 6891711
3-[3-(2-chlorophenoxy)propyl]-1,3-benzothiazol-2-one
CID 3898051
(5Z)-5-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 126137792
[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
CID 1292806
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
1-[3-(2-chlorophenoxy)propyl]-2-methylindole-3-carbaldehyde
CID 53277875
5-[[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 988099
1-[1-[3-(2-chlorophenoxy)propyl]-2-methylindol-3-yl]ethanone
CID 21380832
6-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methylidene]-5-imino-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 3450069

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine?
The IUPAC name of N-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine (CID 126543976) is N-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine.
What is the SMILES notation for N-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine?
The canonical SMILES for N-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine is C=NCc1cn(CCCOc2ccccc2Cl)c2ccccc12.
What is the InChIKey of N-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine?
The InChIKey is ATUVXFOPCCEQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-21-13-15-14-22(18-9-4-2-7-16(15)18)11-6-12-23-19-10-5-3-8-17(19)20/h2-5,7-10,14H,1,6,11-13H2.
What are the key properties of N-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine?
N-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine has a molecular weight of 326.83 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine is sourced from PubChem (CID 126543976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).