N-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine

C17H19BrN2 — CID 80567476

IUPACN-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine
SMILESCN(Cc1ccc(Br)cc1)CC1Cc2ccccc2N1
InChIInChI=1S/C17H19BrN2/c1-20(11-13-6-8-15(18)9-7-13)12-16-10-14-4-2-3-5-17(14)19-16/h2-9,16,19H,10-12H2,1H3
InChIKeyYMBYPGRZYHEXHY-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.92
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine

N-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine (PubChem CID 80567476) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine
PubChem CID80567476
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC NameN-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine
SMILESCN(Cc1ccc(Br)cc1)CC1Cc2ccccc2N1
InChIInChI=1S/C17H19BrN2/c1-20(11-13-6-8-15(18)9-7-13)12-16-10-14-4-2-3-5-17(14)19-16/h2-9,16,19H,10-12H2,1H3
InChIKeyYMBYPGRZYHEXHY-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine (CID 80567476) is N-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine is CN(Cc1ccc(Br)cc1)CC1Cc2ccccc2N1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine?
The InChIKey is YMBYPGRZYHEXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-20(11-13-6-8-15(18)9-7-13)12-16-10-14-4-2-3-5-17(14)19-16/h2-9,16,19H,10-12H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine?
N-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine has a molecular weight of 331.26 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 80567476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).