[5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine

C15H17ClN2O — CID 82544794

IUPAC[5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
SMILESCc1c(Cl)ccc2c1CN(Cc1ccco1)C2CN
InChIInChI=1S/C15H17ClN2O/c1-10-13-9-18(8-11-3-2-6-19-11)15(7-17)12(13)4-5-14(10)16/h2-6,15H,7-9,17H2,1H3
InChIKeyVRFCHZQOPMNLRG-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.26
Rot. Bonds3

About [5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine

[5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82544794) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is [5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82544794
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name[5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
SMILESCc1c(Cl)ccc2c1CN(Cc1ccco1)C2CN
InChIInChI=1S/C15H17ClN2O/c1-10-13-9-18(8-11-3-2-6-19-11)15(7-17)12(13)4-5-14(10)16/h2-6,15H,7-9,17H2,1H3
InChIKeyVRFCHZQOPMNLRG-UHFFFAOYSA-N
XLogP3.26
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-chloro-2-(furan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545334
[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methanamine
CID 94011431
[1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine
CID 103440378
4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 117022057
(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one
CID 6553776
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
2-ethyl-1-(furan-2-ylmethyl)piperazine
CID 64938246
1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile
CID 117022408
[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 107103801
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane
CID 175739385
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine (CID 82544794) is [5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine is Cc1c(Cl)ccc2c1CN(Cc1ccco1)C2CN.
What is the InChIKey of [5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is VRFCHZQOPMNLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-13-9-18(8-11-3-2-6-19-11)15(7-17)12(13)4-5-14(10)16/h2-6,15H,7-9,17H2,1H3.
What are the key properties of [5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine?
[5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 276.77 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(furan-2-ylmethyl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82544794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).