2-(1,3-dihydroisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine

C18H21FN2 — CID 114831353

IUPAC2-(1,3-dihydroisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(CN)(Cc1ccc(F)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C18H21FN2/c1-18(13-20,10-14-6-8-17(19)9-7-14)21-11-15-4-2-3-5-16(15)12-21/h2-9H,10-13,20H2,1H3
InChIKeySEJYXUXZUBQUDM-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.10
Rot. Bonds4

About 2-(1,3-dihydroisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine

2-(1,3-dihydroisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 114831353) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine
PubChem CID114831353
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(CN)(Cc1ccc(F)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C18H21FN2/c1-18(13-20,10-14-6-8-17(19)9-7-14)21-11-15-4-2-3-5-16(15)12-21/h2-9H,10-13,20H2,1H3
InChIKeySEJYXUXZUBQUDM-UHFFFAOYSA-N
XLogP3.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine
CID 114831347
2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine
CID 55150857
3-(4-ethylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 84752283
2-(azepan-1-yl)-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 84752027
3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 84752139
3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 84723193
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66179221
2-(3-methoxypyrrolidin-1-yl)-2-methyl-3-phenylpropan-1-amine
CID 103531552
2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 63272832
2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102640274
2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
CID 114831591

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine (CID 114831353) is 2-(1,3-dihydroisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine is CC(CN)(Cc1ccc(F)cc1)N1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is SEJYXUXZUBQUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-18(13-20,10-14-6-8-17(19)9-7-14)21-11-15-4-2-3-5-16(15)12-21/h2-9H,10-13,20H2,1H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine?
2-(1,3-dihydroisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 284.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 114831353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).