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

C17H20N2 — CID 43378747

IUPAC2-(4-propylphenyl)-1,3-dihydroisoindol-4-amine
SMILESCCCc1ccc(N2Cc3cccc(N)c3C2)cc1
InChIInChI=1S/C17H20N2/c1-2-4-13-7-9-15(10-8-13)19-11-14-5-3-6-17(18)16(14)12-19/h3,5-10H,2,4,11-12,18H2,1H3
InChIKeyFZXGMNCSAAMSGB-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.74
Rot. Bonds3

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

2-(4-propylphenyl)-1,3-dihydroisoindol-4-amine (PubChem CID 43378747) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(4-propylphenyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(4-propylphenyl)-1,3-dihydroisoindol-4-amine
PubChem CID43378747
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2-(4-propylphenyl)-1,3-dihydroisoindol-4-amine
SMILESCCCc1ccc(N2Cc3cccc(N)c3C2)cc1
InChIInChI=1S/C17H20N2/c1-2-4-13-7-9-15(10-8-13)19-11-14-5-3-6-17(18)16(14)12-19/h3,5-10H,2,4,11-12,18H2,1H3
InChIKeyFZXGMNCSAAMSGB-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propylphenyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(4-propylphenyl)-1,3-dihydroisoindol-4-amine (CID 43378747) is 2-(4-propylphenyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(4-propylphenyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(4-propylphenyl)-1,3-dihydroisoindol-4-amine is CCCc1ccc(N2Cc3cccc(N)c3C2)cc1.
What is the InChIKey of 2-(4-propylphenyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is FZXGMNCSAAMSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-4-13-7-9-15(10-8-13)19-11-14-5-3-6-17(18)16(14)12-19/h3,5-10H,2,4,11-12,18H2,1H3.
What are the key properties of 2-(4-propylphenyl)-1,3-dihydroisoindol-4-amine?
2-(4-propylphenyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 252.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylphenyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 43378747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).