1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine

C17H19BrN2 — CID 103998127

IUPAC1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1cccc(Br)c1)Cc1ccc2c(c1)CNC2
InChIInChI=1S/C17H19BrN2/c1-20(11-13-3-2-4-17(18)8-13)12-14-5-6-15-9-19-10-16(15)7-14/h2-8,19H,9-12H2,1H3
InChIKeyRZAGUOMZFZNSJQ-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.68
Rot. Bonds4

About 1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine

1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine (PubChem CID 103998127) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine
PubChem CID103998127
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1cccc(Br)c1)Cc1ccc2c(c1)CNC2
InChIInChI=1S/C17H19BrN2/c1-20(11-13-3-2-4-17(18)8-13)12-14-5-6-15-9-19-10-16(15)7-14/h2-8,19H,9-12H2,1H3
InChIKeyRZAGUOMZFZNSJQ-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
CID 103997964
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine
CID 103998409
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
1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine
CID 60646316
2-[[2,3-dihydro-1H-isoindol-5-ylmethyl(methyl)amino]methyl]benzenesulfonamide
CID 167991544
N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine
CID 63716370
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066
1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine
CID 65457727
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methoxyaniline
CID 61415802
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine (CID 103998127) is 1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine is CN(Cc1cccc(Br)c1)Cc1ccc2c(c1)CNC2.
What is the InChIKey of 1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine?
The InChIKey is RZAGUOMZFZNSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-20(11-13-3-2-4-17(18)8-13)12-14-5-6-15-9-19-10-16(15)7-14/h2-8,19H,9-12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine?
1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine has a molecular weight of 331.26 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine is sourced from PubChem (CID 103998127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).