[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine

C16H14ClFN2 — CID 102861922

IUPAC[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine
SMILESNCc1cccc2ccn(Cc3cccc(Cl)c3F)c12
InChIInChI=1S/C16H14ClFN2/c17-14-6-2-5-13(15(14)18)10-20-8-7-11-3-1-4-12(9-19)16(11)20/h1-8H,9-10,19H2
InChIKeyQMBBZAQHBFLPFW-UHFFFAOYSA-N
MW288.75 g/mol
LogP3.94
Rot. Bonds3

About [1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine

[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine (PubChem CID 102861922) has the molecular formula C16H14ClFN2 and a molecular weight of 288.75 g/mol. Its IUPAC name is [1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine
PubChem CID102861922
Molecular FormulaC16H14ClFN2
Molecular Weight288.75 g/mol
Exact Mass288.08
IUPAC Name[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine
SMILESNCc1cccc2ccn(Cc3cccc(Cl)c3F)c12
InChIInChI=1S/C16H14ClFN2/c17-14-6-2-5-13(15(14)18)10-20-8-7-11-3-1-4-12(9-19)16(11)20/h1-8H,9-10,19H2
InChIKeyQMBBZAQHBFLPFW-UHFFFAOYSA-N
XLogP3.94
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine?
The IUPAC name of [1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine (CID 102861922) is [1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine.
What is the SMILES notation for [1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine?
The canonical SMILES for [1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine is NCc1cccc2ccn(Cc3cccc(Cl)c3F)c12.
What is the InChIKey of [1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine?
The InChIKey is QMBBZAQHBFLPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2/c17-14-6-2-5-13(15(14)18)10-20-8-7-11-3-1-4-12(9-19)16(11)20/h1-8H,9-10,19H2.
What are the key properties of [1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine?
[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine has a molecular weight of 288.75 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine is sourced from PubChem (CID 102861922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).