2-(4-bromophenyl)-1-quinolin-4-ylethanamine

C17H15BrN2 — CID 105089328

IUPAC2-(4-bromophenyl)-1-quinolin-4-ylethanamine
SMILESNC(Cc1ccc(Br)cc1)c1ccnc2ccccc12
InChIInChI=1S/C17H15BrN2/c18-13-7-5-12(6-8-13)11-16(19)14-9-10-20-17-4-2-1-3-15(14)17/h1-10,16H,11,19H2
InChIKeyUTGCHXNXNKIQBD-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.24
Rot. Bonds3

About 2-(4-bromophenyl)-1-quinolin-4-ylethanamine

2-(4-bromophenyl)-1-quinolin-4-ylethanamine (PubChem CID 105089328) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-quinolin-4-ylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-quinolin-4-ylethanamine
PubChem CID105089328
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name2-(4-bromophenyl)-1-quinolin-4-ylethanamine
SMILESNC(Cc1ccc(Br)cc1)c1ccnc2ccccc12
InChIInChI=1S/C17H15BrN2/c18-13-7-5-12(6-8-13)11-16(19)14-9-10-20-17-4-2-1-3-15(14)17/h1-10,16H,11,19H2
InChIKeyUTGCHXNXNKIQBD-UHFFFAOYSA-N
XLogP4.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine
CID 79589925
2-(5-bromothiophen-2-yl)-1-quinolin-4-ylethanamine
CID 105134776
2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine
CID 79592129
[2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine
CID 105195623
2-(1-methylpyrazol-4-yl)-1-quinolin-4-ylethanamine
CID 105114119
(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171236618
2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine
CID 105136391
1-(4-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997339
2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine
CID 105157445
2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine
CID 81227594
2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine
CID 105169391
(1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine
CID 171313405

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-quinolin-4-ylethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-quinolin-4-ylethanamine (CID 105089328) is 2-(4-bromophenyl)-1-quinolin-4-ylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-quinolin-4-ylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-quinolin-4-ylethanamine is NC(Cc1ccc(Br)cc1)c1ccnc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-1-quinolin-4-ylethanamine?
The InChIKey is UTGCHXNXNKIQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c18-13-7-5-12(6-8-13)11-16(19)14-9-10-20-17-4-2-1-3-15(14)17/h1-10,16H,11,19H2.
What are the key properties of 2-(4-bromophenyl)-1-quinolin-4-ylethanamine?
2-(4-bromophenyl)-1-quinolin-4-ylethanamine has a molecular weight of 327.23 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-quinolin-4-ylethanamine is sourced from PubChem (CID 105089328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).