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

C17H19BrN2 — CID 43180447

IUPAC2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
SMILESNCC(c1cccc(Br)c1)N1CCCc2ccccc21
InChIInChI=1S/C17H19BrN2/c18-15-8-3-6-14(11-15)17(12-19)20-10-4-7-13-5-1-2-9-16(13)20/h1-3,5-6,8-9,11,17H,4,7,10,12,19H2
InChIKeyYOXNTHADDFJNLA-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.90
Rot. Bonds3

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

2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine (PubChem CID 43180447) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
PubChem CID43180447
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
SMILESNCC(c1cccc(Br)c1)N1CCCc2ccccc21
InChIInChI=1S/C17H19BrN2/c18-15-8-3-6-14(11-15)17(12-19)20-10-4-7-13-5-1-2-9-16(13)20/h1-3,5-6,8-9,11,17H,4,7,10,12,19H2
InChIKeyYOXNTHADDFJNLA-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine (CID 43180447) is 2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine is NCC(c1cccc(Br)c1)N1CCCc2ccccc21.
What is the InChIKey of 2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The InChIKey is YOXNTHADDFJNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c18-15-8-3-6-14(11-15)17(12-19)20-10-4-7-13-5-1-2-9-16(13)20/h1-3,5-6,8-9,11,17H,4,7,10,12,19H2.
What are the key properties of 2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine?
2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine has a molecular weight of 331.26 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine is sourced from PubChem (CID 43180447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).