2-(1,3-dihydroisoindol-2-yl)-N-methyl-1-phenylbutan-1-amine

C19H24N2 — CID 62205018

IUPAC2-(1,3-dihydroisoindol-2-yl)-N-methyl-1-phenylbutan-1-amine
SMILESCCC(C(NC)c1ccccc1)N1Cc2ccccc2C1
InChIInChI=1S/C19H24N2/c1-3-18(19(20-2)15-9-5-4-6-10-15)21-13-16-11-7-8-12-17(16)14-21/h4-12,18-20H,3,13-14H2,1-2H3
InChIKeyBVVGGGULHKNFJA-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.74
Rot. Bonds5

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

2-(1,3-dihydroisoindol-2-yl)-N-methyl-1-phenylbutan-1-amine (PubChem CID 62205018) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-N-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-N-methyl-1-phenylbutan-1-amine
PubChem CID62205018
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-N-methyl-1-phenylbutan-1-amine
SMILESCCC(C(NC)c1ccccc1)N1Cc2ccccc2C1
InChIInChI=1S/C19H24N2/c1-3-18(19(20-2)15-9-5-4-6-10-15)21-13-16-11-7-8-12-17(16)14-21/h4-12,18-20H,3,13-14H2,1-2H3
InChIKeyBVVGGGULHKNFJA-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-methyl-1-phenylbutan-1-amine?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-methyl-1-phenylbutan-1-amine (CID 62205018) is 2-(1,3-dihydroisoindol-2-yl)-N-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-N-methyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-N-methyl-1-phenylbutan-1-amine is CCC(C(NC)c1ccccc1)N1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-N-methyl-1-phenylbutan-1-amine?
The InChIKey is BVVGGGULHKNFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-3-18(19(20-2)15-9-5-4-6-10-15)21-13-16-11-7-8-12-17(16)14-21/h4-12,18-20H,3,13-14H2,1-2H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-N-methyl-1-phenylbutan-1-amine?
2-(1,3-dihydroisoindol-2-yl)-N-methyl-1-phenylbutan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-N-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 62205018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).