2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine

C16H18N2 — CID 43175797

IUPAC2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine
SMILESCc1ccccc1CN1Cc2ccc(N)cc2C1
InChIInChI=1S/C16H18N2/c1-12-4-2-3-5-13(12)9-18-10-14-6-7-16(17)8-15(14)11-18/h2-8H,9-11,17H2,1H3
InChIKeyBRKIYZYWLBSGQG-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.09
Rot. Bonds2

About 2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine

2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine (PubChem CID 43175797) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine
PubChem CID43175797
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine
SMILESCc1ccccc1CN1Cc2ccc(N)cc2C1
InChIInChI=1S/C16H18N2/c1-12-4-2-3-5-13(12)9-18-10-14-6-7-16(17)8-15(14)11-18/h2-8H,9-11,17H2,1H3
InChIKeyBRKIYZYWLBSGQG-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-5-amine
CID 43370115
2-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-amine
CID 62307386
2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 114346238
2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine
CID 62847762
4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol
CID 55050237
6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 43446579
2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine
CID 54962658
4-[(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-methylbenzonitrile
CID 114484252
9-[(2-methylphenyl)methyl]carbazole-2,7-diamine
CID 134294518
6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1377084
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
4-methyl-3-[(4-phenylpiperazin-1-yl)methyl]aniline
CID 75532069

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine (CID 43175797) is 2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine is Cc1ccccc1CN1Cc2ccc(N)cc2C1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine?
The InChIKey is BRKIYZYWLBSGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-12-4-2-3-5-13(12)9-18-10-14-6-7-16(17)8-15(14)11-18/h2-8H,9-11,17H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine?
2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine has a molecular weight of 238.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 43175797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).