1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine

C17H14BrClN2 — CID 107989064

IUPAC1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine
SMILESNC(Cc1ccc2ccccc2n1)c1ccc(Cl)cc1Br
InChIInChI=1S/C17H14BrClN2/c18-15-9-12(19)6-8-14(15)16(20)10-13-7-5-11-3-1-2-4-17(11)21-13/h1-9,16H,10,20H2
InChIKeyPXNYEIFNLZZVLF-UHFFFAOYSA-N
MW361.67 g/mol
LogP4.89
Rot. Bonds3

About 1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine

1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine (PubChem CID 107989064) has the molecular formula C17H14BrClN2 and a molecular weight of 361.67 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine
PubChem CID107989064
Molecular FormulaC17H14BrClN2
Molecular Weight361.67 g/mol
Exact Mass360.00
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine
SMILESNC(Cc1ccc2ccccc2n1)c1ccc(Cl)cc1Br
InChIInChI=1S/C17H14BrClN2/c18-15-9-12(19)6-8-14(15)16(20)10-13-7-5-11-3-1-2-4-17(11)21-13/h1-9,16H,10,20H2
InChIKeyPXNYEIFNLZZVLF-UHFFFAOYSA-N
XLogP4.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.67
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-2-quinolin-2-ylethanamine
CID 43118742
2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline
CID 66459431
1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine
CID 62277076
1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 107995838
1-(4-methyl-3-pyridinyl)-2-quinolin-2-ylethanamine
CID 114877948
[5-chloro-2-(quinolin-2-ylmethyl)phenyl]methanamine
CID 66159539
1-(2-bromo-4-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 114025336
2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline
CID 66460552
1-(furan-2-yl)-2-quinolin-2-ylethanamine
CID 43118707
1-(4-fluorophenyl)-2-quinolin-2-ylethanamine
CID 43118778
[1-(3-chlorophenyl)-2-quinolin-2-ylethyl]hydrazine
CID 105194577
2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline
CID 81451336

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine (CID 107989064) is 1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine is NC(Cc1ccc2ccccc2n1)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine?
The InChIKey is PXNYEIFNLZZVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2/c18-15-9-12(19)6-8-14(15)16(20)10-13-7-5-11-3-1-2-4-17(11)21-13/h1-9,16H,10,20H2.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine?
1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine has a molecular weight of 361.67 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine is sourced from PubChem (CID 107989064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).