N-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine

C16H13ClN2 — CID 2321746

IUPACN-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine
SMILESCn1cc(/C=N/c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C16H13ClN2/c1-19-11-12(15-7-2-3-8-16(15)19)10-18-14-6-4-5-13(17)9-14/h2-11H,1H3/b18-10+
InChIKeyGXCKUWJJUFFPGO-VCHYOVAHSA-N
MW268.75 g/mol
LogP4.58
Rot. Bonds2

About N-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine

N-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine (PubChem CID 2321746) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine
PubChem CID2321746
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC NameN-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine
SMILESCn1cc(/C=N/c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C16H13ClN2/c1-19-11-12(15-7-2-3-8-16(15)19)10-18-14-6-4-5-13(17)9-14/h2-11H,1H3/b18-10+
InChIKeyGXCKUWJJUFFPGO-VCHYOVAHSA-N
XLogP4.58
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.58
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-[3-[(1-methylindol-3-yl)methylideneamino]phenyl]ethanone
CID 23476824
5-[(3-chlorophenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 44613528
1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 110537286
3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3916491
methyl 5-[[3-[(3-chlorophenyl)iminomethyl]indol-1-yl]methyl]furan-2-carboxylate
CID 126398177
1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine
CID 19060080
(E)-1-(1-methylindol-3-yl)-N-propan-2-yloxymethanimine
CID 137469262
1-anthracen-9-yl-N-(3-chlorophenyl)methanimine
CID 5218949
3-chloro-4-methyl-N-[(E)-(1-methylindol-3-yl)methylideneamino]aniline
CID 110506574
CID 58652160
CID 58652160
N-(3-chlorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
CID 50853687
4,5-dimethyl-2-[(1-methylindol-3-yl)methylideneamino]thiophene-3-carbonitrile
CID 3617776

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine?
The IUPAC name of N-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine (CID 2321746) is N-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine.
What is the SMILES notation for N-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine?
The canonical SMILES for N-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine is Cn1cc(/C=N/c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of N-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine?
The InChIKey is GXCKUWJJUFFPGO-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H13ClN2/c1-19-11-12(15-7-2-3-8-16(15)19)10-18-14-6-4-5-13(17)9-14/h2-11H,1H3/b18-10+.
What are the key properties of N-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine?
N-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine has a molecular weight of 268.75 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine is sourced from PubChem (CID 2321746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).