[6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine

C18H22N2 — CID 82545777

IUPAC[6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESCc1ccc2c(c1)C(CN)N(CCc1ccccc1)C2
InChIInChI=1S/C18H22N2/c1-14-7-8-16-13-20(18(12-19)17(16)11-14)10-9-15-5-3-2-4-6-15/h2-8,11,18H,9-10,12-13,19H2,1H3
InChIKeyFIQOFLIADBQYFJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.05
Rot. Bonds4

About [6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine

[6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545777) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is [6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545777
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name[6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESCc1ccc2c(c1)C(CN)N(CCc1ccccc1)C2
InChIInChI=1S/C18H22N2/c1-14-7-8-16-13-20(18(12-19)17(16)11-14)10-9-15-5-3-2-4-6-15/h2-8,11,18H,9-10,12-13,19H2,1H3
InChIKeyFIQOFLIADBQYFJ-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545249
[6-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545753
[6-methyl-2-(4-pyrrolidin-1-ylbutyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545752
3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol
CID 82545798
[4,7-dichloro-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 110450009
[6-[(dimethylamino)methyl]-2-(2-methoxyethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82544624
2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine
CID 82544662
[2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545280
[6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine
CID 110450121
(1R,9R)-4,12-dimethyl-17-(2-phenylethyl)-8,16-dithia-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 100959775
[6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 110450172
(2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 110450193

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine (CID 82545777) is [6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine is Cc1ccc2c(c1)C(CN)N(CCc1ccccc1)C2.
What is the InChIKey of [6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is FIQOFLIADBQYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14-7-8-16-13-20(18(12-19)17(16)11-14)10-9-15-5-3-2-4-6-15/h2-8,11,18H,9-10,12-13,19H2,1H3.
What are the key properties of [6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine?
[6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 266.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).