1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine

C17H16ClFN2 — CID 115984349

IUPAC1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine
SMILESCNCc1cc2ccccc2n1Cc1cccc(F)c1Cl
InChIInChI=1S/C17H16ClFN2/c1-20-10-14-9-12-5-2-3-8-16(12)21(14)11-13-6-4-7-15(19)17(13)18/h2-9,20H,10-11H2,1H3
InChIKeyHNCGEOKDSKECJI-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.20
Rot. Bonds4

About 1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine

1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine (PubChem CID 115984349) has the molecular formula C17H16ClFN2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine
PubChem CID115984349
Molecular FormulaC17H16ClFN2
Molecular Weight302.78 g/mol
Exact Mass302.10
IUPAC Name1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine
SMILESCNCc1cc2ccccc2n1Cc1cccc(F)c1Cl
InChIInChI=1S/C17H16ClFN2/c1-20-10-14-9-12-5-2-3-8-16(12)21(14)11-13-6-4-7-15(19)17(13)18/h2-9,20H,10-11H2,1H3
InChIKeyHNCGEOKDSKECJI-UHFFFAOYSA-N
XLogP4.20
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine
CID 107887996
1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine
CID 65490558
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole
CID 112654456
1-(1-fluoroindol-2-yl)-N-methylmethanamine
CID 68501353
1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine
CID 82924833
N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine
CID 113474415
N-[[3-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 115984376
5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623355
1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole
CID 114859479
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
1-[3-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65173130
(2-chloro-3-fluorophenyl)methylhydrazine
CID 81453607

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine (CID 115984349) is 1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine is CNCc1cc2ccccc2n1Cc1cccc(F)c1Cl.
What is the InChIKey of 1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine?
The InChIKey is HNCGEOKDSKECJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2/c1-20-10-14-9-12-5-2-3-8-16(12)21(14)11-13-6-4-7-15(19)17(13)18/h2-9,20H,10-11H2,1H3.
What are the key properties of 1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine?
1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine has a molecular weight of 302.78 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 115984349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).