(2-benzyl-3-methyl-1,3-dihydroisoindol-5-yl)methanamine

C17H20N2 — CID 83980265

IUPAC(2-benzyl-3-methyl-1,3-dihydroisoindol-5-yl)methanamine
SMILESCC1c2cc(CN)ccc2CN1Cc1ccccc1
InChIInChI=1S/C17H20N2/c1-13-17-9-15(10-18)7-8-16(17)12-19(13)11-14-5-3-2-4-6-14/h2-9,13H,10-12,18H2,1H3
InChIKeyLMBILIBOABFERR-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.22
Rot. Bonds3

About (2-benzyl-3-methyl-1,3-dihydroisoindol-5-yl)methanamine

(2-benzyl-3-methyl-1,3-dihydroisoindol-5-yl)methanamine (PubChem CID 83980265) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2-benzyl-3-methyl-1,3-dihydroisoindol-5-yl)methanamine.

Molecular Properties

Compound Name(2-benzyl-3-methyl-1,3-dihydroisoindol-5-yl)methanamine
PubChem CID83980265
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(2-benzyl-3-methyl-1,3-dihydroisoindol-5-yl)methanamine
SMILESCC1c2cc(CN)ccc2CN1Cc1ccccc1
InChIInChI=1S/C17H20N2/c1-13-17-9-15(10-18)7-8-16(17)12-19(13)11-14-5-3-2-4-6-14/h2-9,13H,10-12,18H2,1H3
InChIKeyLMBILIBOABFERR-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-methyl-5-trimethylsilyl-2,6-dihydropyridin-3-one
CID 11086946
(2-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanamine
CID 83956637
2-benzyl-7-methoxy-1-methyl-1,3-dihydroisoquinolin-4-one
CID 134913566
[6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545777
4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine
CID 11402886
[1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine
CID 83980237
4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane
CID 101436229
(5R,6S)-1-benzyl-5,6-dimethylpiperidin-3-one
CID 124709041
1-benzyl-6-methylpiperidin-3-amine
CID 54593768
(3S)-4-benzyl-8-methoxy-3-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-9-amine
CID 10017542
5-benzyl-4-methyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazol-3-amine
CID 83850274
[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 102662791

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-3-methyl-1,3-dihydroisoindol-5-yl)methanamine?
The IUPAC name of (2-benzyl-3-methyl-1,3-dihydroisoindol-5-yl)methanamine (CID 83980265) is (2-benzyl-3-methyl-1,3-dihydroisoindol-5-yl)methanamine.
What is the SMILES notation for (2-benzyl-3-methyl-1,3-dihydroisoindol-5-yl)methanamine?
The canonical SMILES for (2-benzyl-3-methyl-1,3-dihydroisoindol-5-yl)methanamine is CC1c2cc(CN)ccc2CN1Cc1ccccc1.
What is the InChIKey of (2-benzyl-3-methyl-1,3-dihydroisoindol-5-yl)methanamine?
The InChIKey is LMBILIBOABFERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-13-17-9-15(10-18)7-8-16(17)12-19(13)11-14-5-3-2-4-6-14/h2-9,13H,10-12,18H2,1H3.
What are the key properties of (2-benzyl-3-methyl-1,3-dihydroisoindol-5-yl)methanamine?
(2-benzyl-3-methyl-1,3-dihydroisoindol-5-yl)methanamine has a molecular weight of 252.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-3-methyl-1,3-dihydroisoindol-5-yl)methanamine is sourced from PubChem (CID 83980265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).