1-(2-bromophenyl)-1-quinolin-6-ylethanamine

C17H15BrN2 — CID 81216742

IUPAC1-(2-bromophenyl)-1-quinolin-6-ylethanamine
SMILESCC(N)(c1ccc2ncccc2c1)c1ccccc1Br
InChIInChI=1S/C17H15BrN2/c1-17(19,14-6-2-3-7-15(14)18)13-8-9-16-12(11-13)5-4-10-20-16/h2-11H,19H2,1H3
InChIKeyZYNXQFKUIPVCNC-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.22
Rot. Bonds2

About 1-(2-bromophenyl)-1-quinolin-6-ylethanamine

1-(2-bromophenyl)-1-quinolin-6-ylethanamine (PubChem CID 81216742) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-quinolin-6-ylethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-quinolin-6-ylethanamine
PubChem CID81216742
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name1-(2-bromophenyl)-1-quinolin-6-ylethanamine
SMILESCC(N)(c1ccc2ncccc2c1)c1ccccc1Br
InChIInChI=1S/C17H15BrN2/c1-17(19,14-6-2-3-7-15(14)18)13-8-9-16-12(11-13)5-4-10-20-16/h2-11H,19H2,1H3
InChIKeyZYNXQFKUIPVCNC-UHFFFAOYSA-N
XLogP4.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methylquinoline
CID 7059
Benzo(F)Quinoline
CID 6796
6-Isopropylquinoline
CID 67285
4-(4-Dimethylaminostyryl)quinoline
CID 668053
6-(sec-Butyl)quinoline
CID 103401
5-Amino-6-methylquinoline
CID 3022182
3-Bromoquinoline
CID 21413
3-((E)-Styryl)-quinoline
CID 10243001
6,6'-Biquinoline
CID 620711
5-Bromoquinoline
CID 817321
9-Bromoellipticine
CID 97080
Quinolinium, 4-(p-dimethylaminostyryl)-1-methyl-
CID 1405133

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-quinolin-6-ylethanamine?
The IUPAC name of 1-(2-bromophenyl)-1-quinolin-6-ylethanamine (CID 81216742) is 1-(2-bromophenyl)-1-quinolin-6-ylethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-quinolin-6-ylethanamine?
The canonical SMILES for 1-(2-bromophenyl)-1-quinolin-6-ylethanamine is CC(N)(c1ccc2ncccc2c1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-quinolin-6-ylethanamine?
The InChIKey is ZYNXQFKUIPVCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-17(19,14-6-2-3-7-15(14)18)13-8-9-16-12(11-13)5-4-10-20-16/h2-11H,19H2,1H3.
What are the key properties of 1-(2-bromophenyl)-1-quinolin-6-ylethanamine?
1-(2-bromophenyl)-1-quinolin-6-ylethanamine has a molecular weight of 327.23 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-quinolin-6-ylethanamine is sourced from PubChem (CID 81216742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).