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

C17H20N2 — CID 104592131

IUPAC2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine
SMILESCC(CN1Cc2cccc(N)c2C1)c1ccccc1
InChIInChI=1S/C17H20N2/c1-13(14-6-3-2-4-7-14)10-19-11-15-8-5-9-17(18)16(15)12-19/h2-9,13H,10-12,18H2,1H3
InChIKeyGDGDNMNYMYPCLR-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.39
Rot. Bonds3

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

2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine (PubChem CID 104592131) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine
PubChem CID104592131
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine
SMILESCC(CN1Cc2cccc(N)c2C1)c1ccccc1
InChIInChI=1S/C17H20N2/c1-13(14-6-3-2-4-7-14)10-19-11-15-8-5-9-17(18)16(15)12-19/h2-9,13H,10-12,18H2,1H3
InChIKeyGDGDNMNYMYPCLR-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
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

3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine
CID 62619441
2-nonyl-1,3-dihydroisoindol-4-amine
CID 43370262
2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine
CID 43370258
2-heptyl-1,3-dihydroisoindol-4-amine
CID 43370261
2-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522644
2-(3-methylbutan-2-yl)-1,3-dihydroisoindol-4-amine
CID 43370011
2-(4-methylpentan-2-yl)-1,3-dihydroisoindol-4-amine
CID 43372441
2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370254
2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 45202916
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370116
2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 105404497
2-(naphthalen-1-ylmethyl)-1,3-dihydroisoindol-4-amine
CID 43175805

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine (CID 104592131) is 2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine is CC(CN1Cc2cccc(N)c2C1)c1ccccc1.
What is the InChIKey of 2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is GDGDNMNYMYPCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-13(14-6-3-2-4-7-14)10-19-11-15-8-5-9-17(18)16(15)12-19/h2-9,13H,10-12,18H2,1H3.
What are the key properties of 2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine?
2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 252.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 104592131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).