[2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine

C18H21ClN2O2 — CID 110449874

IUPAC[2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1cc2c(c(OC)c1)C(CN)N(Cc1ccccc1Cl)C2
InChIInChI=1S/C18H21ClN2O2/c1-22-14-7-13-11-21(10-12-5-3-4-6-15(12)19)16(9-20)18(13)17(8-14)23-2/h3-8,16H,9-11,20H2,1-2H3
InChIKeyQNRBWTCBXRVUHV-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.37
Rot. Bonds5

About [2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine

[2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 110449874) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID110449874
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name[2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1cc2c(c(OC)c1)C(CN)N(Cc1ccccc1Cl)C2
InChIInChI=1S/C18H21ClN2O2/c1-22-14-7-13-11-21(10-12-5-3-4-6-15(12)19)16(9-20)18(13)17(8-14)23-2/h3-8,16H,9-11,20H2,1-2H3
InChIKeyQNRBWTCBXRVUHV-UHFFFAOYSA-N
XLogP3.37
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine (CID 110449874) is [2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine is COc1cc2c(c(OC)c1)C(CN)N(Cc1ccccc1Cl)C2.
What is the InChIKey of [2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is QNRBWTCBXRVUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-22-14-7-13-11-21(10-12-5-3-4-6-15(12)19)16(9-20)18(13)17(8-14)23-2/h3-8,16H,9-11,20H2,1-2H3.
What are the key properties of [2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine?
[2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 332.83 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 110449874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).