[4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine

C15H15FN2 — CID 115366831

IUPAC[4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine
SMILESNCc1ccc(N2Cc3ccccc3C2)cc1F
InChIInChI=1S/C15H15FN2/c16-15-7-14(6-5-11(15)8-17)18-9-12-3-1-2-4-13(12)10-18/h1-7H,8-10,17H2
InChIKeyVVWYCUSTZUXKCU-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.80
Rot. Bonds2

About [4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine

[4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine (PubChem CID 115366831) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is [4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine
PubChem CID115366831
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Name[4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine
SMILESNCc1ccc(N2Cc3ccccc3C2)cc1F
InChIInChI=1S/C15H15FN2/c16-15-7-14(6-5-11(15)8-17)18-9-12-3-1-2-4-13(12)10-18/h1-7H,8-10,17H2
InChIKeyVVWYCUSTZUXKCU-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(azocan-1-yl)-2-fluorophenyl]methanamine
CID 115366666
(2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine
CID 115366694
[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine
CID 55049952
[4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine
CID 113295404
[2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine
CID 115366849
4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine
CID 106750709
[2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine
CID 64769111
3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine
CID 170878920
[2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 115366639
[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-fluorophenyl]methanamine
CID 107453127
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624320
[2-bromo-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]methanamine
CID 107532137

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine?
The IUPAC name of [4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine (CID 115366831) is [4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine?
The canonical SMILES for [4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine is NCc1ccc(N2Cc3ccccc3C2)cc1F.
What is the InChIKey of [4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine?
The InChIKey is VVWYCUSTZUXKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c16-15-7-14(6-5-11(15)8-17)18-9-12-3-1-2-4-13(12)10-18/h1-7H,8-10,17H2.
What are the key properties of [4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine?
[4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine has a molecular weight of 242.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 115366831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).