2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine

C17H20N2 — CID 43370258

IUPAC2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(CCCc1ccccc1)C2
InChIInChI=1S/C17H20N2/c18-17-10-4-9-15-12-19(13-16(15)17)11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10H,5,8,11-13,18H2
InChIKeyPVJKGNVWDSUCCX-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.22
Rot. Bonds4

About 2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine

2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine (PubChem CID 43370258) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine
PubChem CID43370258
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(CCCc1ccccc1)C2
InChIInChI=1S/C17H20N2/c18-17-10-4-9-15-12-19(13-16(15)17)11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10H,5,8,11-13,18H2
InChIKeyPVJKGNVWDSUCCX-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.22
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-nonyl-1,3-dihydroisoindol-4-amine
CID 43370262
2-heptyl-1,3-dihydroisoindol-4-amine
CID 43370261
2-(3-cyclopentylpropyl)-1,3-dihydroisoindol-4-amine
CID 106008219
2-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-dihydroisoindol-4-amine
CID 80686573
ethane;5-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline
CID 143140384
2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370224
2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-dihydroisoindol-4-amine
CID 80686424
2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 105404497
1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine
CID 61359358
2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine
CID 104592131
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-dihydroisoindol-4-amine
CID 106420818
5-bromo-2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline-7,8-diamine
CID 157455387

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine (CID 43370258) is 2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine is Nc1cccc2c1CN(CCCc1ccccc1)C2.
What is the InChIKey of 2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is PVJKGNVWDSUCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c18-17-10-4-9-15-12-19(13-16(15)17)11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10H,5,8,11-13,18H2.
What are the key properties of 2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine?
2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 252.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 43370258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).