3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine

C18H22N2 — CID 62619441

IUPAC3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(CN1Cc2ccccc2C1)C(N)c1ccccc1
InChIInChI=1S/C18H22N2/c1-14(18(19)15-7-3-2-4-8-15)11-20-12-16-9-5-6-10-17(16)13-20/h2-10,14,18H,11-13,19H2,1H3
InChIKeyJXCJYFIFMYQEOY-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.34
Rot. Bonds4

About 3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine

3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine (PubChem CID 62619441) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine
PubChem CID62619441
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(CN1Cc2ccccc2C1)C(N)c1ccccc1
InChIInChI=1S/C18H22N2/c1-14(18(19)15-7-3-2-4-8-15)11-20-12-16-9-5-6-10-17(16)13-20/h2-10,14,18H,11-13,19H2,1H3
InChIKeyJXCJYFIFMYQEOY-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-1-phenylpropan-1-amine
CID 63159871
1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol
CID 106837864
3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 65282253
2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 114490136
2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine
CID 104592131
[4-(3-amino-2-methyl-3-phenylpropyl)-6-methylmorpholin-2-yl]methanol
CID 102936336
3-(3-ethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-amine
CID 62618747
3-(2-cyclopentylpyrrolidin-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 62617910
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
2-amino-3-(1,3-dihydroisoindol-2-yl)propan-1-ol
CID 64788964
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine
CID 142598065
2-methyl-3-(3-methylmorpholin-4-yl)-1-phenylpropan-1-amine
CID 62619774

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine (CID 62619441) is 3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine is CC(CN1Cc2ccccc2C1)C(N)c1ccccc1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine?
The InChIKey is JXCJYFIFMYQEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14(18(19)15-7-3-2-4-8-15)11-20-12-16-9-5-6-10-17(16)13-20/h2-10,14,18H,11-13,19H2,1H3.
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine?
3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 62619441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).