(4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine

C15H17N3 — CID 82545722

IUPAC(4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine
SMILESCc1cccc2c1CN(c1cccnc1)C2CN
InChIInChI=1S/C15H17N3/c1-11-4-2-6-13-14(11)10-18(15(13)8-16)12-5-3-7-17-9-12/h2-7,9,15H,8,10,16H2,1H3
InChIKeyGWTQAVSVUINLBN-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.41
Rot. Bonds2

About (4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine

(4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82545722) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is (4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82545722
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name(4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine
SMILESCc1cccc2c1CN(c1cccnc1)C2CN
InChIInChI=1S/C15H17N3/c1-11-4-2-6-13-14(11)10-18(15(13)8-16)12-5-3-7-17-9-12/h2-7,9,15H,8,10,16H2,1H3
InChIKeyGWTQAVSVUINLBN-UHFFFAOYSA-N
XLogP2.41
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol
CID 82545707
(2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545740
(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545739
1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine
CID 82544949
1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol
CID 82545732
[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82545681
1-pyridin-3-ylpyrrolidin-2-amine
CID 54403911
(4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82544440
5-methyl-3-pyridin-3-ylquinazolin-4-one
CID 150241032
(1-pyridin-3-ylpiperidin-3-yl)methanamine
CID 83818099
[2-(1,3-benzodioxol-5-yl)-5-chloro-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 110449727
3-[1-(aminomethyl)-4-fluoro-6-methoxy-1,3-dihydroisoindol-2-yl]phenol
CID 82544879

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine (CID 82545722) is (4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine is Cc1cccc2c1CN(c1cccnc1)C2CN.
What is the InChIKey of (4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is GWTQAVSVUINLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11-4-2-6-13-14(11)10-18(15(13)8-16)12-5-3-7-17-9-12/h2-7,9,15H,8,10,16H2,1H3.
What are the key properties of (4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine?
(4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 239.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82545722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).