2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine

C18H21BrN2 — CID 63404278

IUPAC2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
SMILESCC1Cc2ccccc2N(C(CN)c2ccccc2Br)C1
InChIInChI=1S/C18H21BrN2/c1-13-10-14-6-2-5-9-17(14)21(12-13)18(11-20)15-7-3-4-8-16(15)19/h2-9,13,18H,10-12,20H2,1H3
InChIKeyTZGNFGRWZOTMHB-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.15
Rot. Bonds3

About 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine

2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine (PubChem CID 63404278) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
PubChem CID63404278
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
SMILESCC1Cc2ccccc2N(C(CN)c2ccccc2Br)C1
InChIInChI=1S/C18H21BrN2/c1-13-10-14-6-2-5-9-17(14)21(12-13)18(11-20)15-7-3-4-8-16(15)19/h2-9,13,18H,10-12,20H2,1H3
InChIKeyTZGNFGRWZOTMHB-UHFFFAOYSA-N
XLogP4.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine (CID 63404278) is 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine is CC1Cc2ccccc2N(C(CN)c2ccccc2Br)C1.
What is the InChIKey of 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The InChIKey is TZGNFGRWZOTMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-13-10-14-6-2-5-9-17(14)21(12-13)18(11-20)15-7-3-4-8-16(15)19/h2-9,13,18H,10-12,20H2,1H3.
What are the key properties of 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine?
2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine has a molecular weight of 345.28 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine is sourced from PubChem (CID 63404278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).