2-[(5-chloro-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine

C15H16ClFN2 — CID 103047441

IUPAC2-[(5-chloro-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESNC1CCCc2cn(Cc3cc(Cl)ccc3F)cc21
InChIInChI=1S/C15H16ClFN2/c16-12-4-5-14(17)11(6-12)8-19-7-10-2-1-3-15(18)13(10)9-19/h4-7,9,15H,1-3,8,18H2
InChIKeyNQBMMWGPZWVESP-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.66
Rot. Bonds2

About 2-[(5-chloro-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine

2-[(5-chloro-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 103047441) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-[(5-chloro-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(5-chloro-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID103047441
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name2-[(5-chloro-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESNC1CCCc2cn(Cc3cc(Cl)ccc3F)cc21
InChIInChI=1S/C15H16ClFN2/c16-12-4-5-14(17)11(6-12)8-19-7-10-2-1-3-15(18)13(10)9-19/h4-7,9,15H,1-3,8,18H2
InChIKeyNQBMMWGPZWVESP-UHFFFAOYSA-N
XLogP3.66
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-[(5-chloro-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (CID 103047441) is 2-[(5-chloro-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-[(5-chloro-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-[(5-chloro-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is NC1CCCc2cn(Cc3cc(Cl)ccc3F)cc21.
What is the InChIKey of 2-[(5-chloro-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is NQBMMWGPZWVESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c16-12-4-5-14(17)11(6-12)8-19-7-10-2-1-3-15(18)13(10)9-19/h4-7,9,15H,1-3,8,18H2.
What are the key properties of 2-[(5-chloro-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
2-[(5-chloro-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 278.76 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 103047441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).