N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine

C17H20N2 — CID 103997964

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1ccc2c(c1)CNC2
InChIInChI=1S/C17H20N2/c1-19(12-14-5-3-2-4-6-14)13-15-7-8-16-10-18-11-17(16)9-15/h2-9,18H,10-13H2,1H3
InChIKeyDLTOUDUXCHDIRT-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.92
Rot. Bonds4

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine (PubChem CID 103997964) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
PubChem CID103997964
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1ccc2c(c1)CNC2
InChIInChI=1S/C17H20N2/c1-19(12-14-5-3-2-4-6-14)13-15-7-8-16-10-18-11-17(16)9-15/h2-9,18H,10-13H2,1H3
InChIKeyDLTOUDUXCHDIRT-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine
CID 103998127
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine
CID 103998409
2-[[2,3-dihydro-1H-isoindol-5-ylmethyl(methyl)amino]methyl]benzenesulfonamide
CID 167991544
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine
CID 103998027
1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine
CID 114396701
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 143985819
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline
CID 103997968
N-methyl-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
CID 44767910
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 103998380
4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine
CID 82183785
2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine
CID 103998390
N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998007

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine (CID 103997964) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine is CN(Cc1ccccc1)Cc1ccc2c(c1)CNC2.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine?
The InChIKey is DLTOUDUXCHDIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-19(12-14-5-3-2-4-6-14)13-15-7-8-16-10-18-11-17(16)9-15/h2-9,18H,10-13H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine has a molecular weight of 252.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 103997964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).