2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine

C15H15FN2 — CID 43370224

IUPAC2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(Cc1cccc(F)c1)C2
InChIInChI=1S/C15H15FN2/c16-13-5-1-3-11(7-13)8-18-9-12-4-2-6-15(17)14(12)10-18/h1-7H,8-10,17H2
InChIKeyKSUQVHVYCXDPEZ-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.92
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine

2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine (PubChem CID 43370224) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
PubChem CID43370224
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Name2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(Cc1cccc(F)c1)C2
InChIInChI=1S/C15H15FN2/c16-13-5-1-3-11(7-13)8-18-9-12-4-2-6-15(17)14(12)10-18/h1-7H,8-10,17H2
InChIKeyKSUQVHVYCXDPEZ-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 105404497
2-[(3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017935
2-[(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370268
2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370254
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
2-[(3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522494
5-(1,3-dihydroisoindol-2-ylmethyl)-2-fluoroaniline
CID 117221486
2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine
CID 43175805
2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine
CID 43370258
1-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-fluorophenyl)ethanone
CID 114523285
2-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61019122
3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide
CID 61015450

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine (CID 43370224) is 2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine is Nc1cccc2c1CN(Cc1cccc(F)c1)C2.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine?
The InChIKey is KSUQVHVYCXDPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c16-13-5-1-3-11(7-13)8-18-9-12-4-2-6-15(17)14(12)10-18/h1-7H,8-10,17H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine?
2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine has a molecular weight of 242.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 43370224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).