[6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine

C22H30N2O — CID 110450121

IUPAC[6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1cc(C)c2c(c1C(C)C)C(CN)N(CCc1ccccc1)C2
InChIInChI=1S/C22H30N2O/c1-15(2)21-20(25-4)12-16(3)18-14-24(19(13-23)22(18)21)11-10-17-8-6-5-7-9-17/h5-9,12,15,19H,10-11,13-14,23H2,1-4H3
InChIKeyLBXGHTRSGMFWIO-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.19
Rot. Bonds6

About [6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine

[6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 110450121) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is [6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID110450121
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name[6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1cc(C)c2c(c1C(C)C)C(CN)N(CCc1ccccc1)C2
InChIInChI=1S/C22H30N2O/c1-15(2)21-20(25-4)12-16(3)18-14-24(19(13-23)22(18)21)11-10-17-8-6-5-7-9-17/h5-9,12,15,19H,10-11,13-14,23H2,1-4H3
InChIKeyLBXGHTRSGMFWIO-UHFFFAOYSA-N
XLogP4.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine (CID 110450121) is [6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine is COc1cc(C)c2c(c1C(C)C)C(CN)N(CCc1ccccc1)C2.
What is the InChIKey of [6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is LBXGHTRSGMFWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-15(2)21-20(25-4)12-16(3)18-14-24(19(13-23)22(18)21)11-10-17-8-6-5-7-9-17/h5-9,12,15,19H,10-11,13-14,23H2,1-4H3.
What are the key properties of [6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine?
[6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 338.50 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 110450121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).