(1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine

C18H17BrN2 — CID 81378788

IUPAC(1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccnc2ccccc12)c1ccccc1Br
InChIInChI=1S/C18H17BrN2/c1-13(15-6-2-4-8-17(15)19)21-12-14-10-11-20-18-9-5-3-7-16(14)18/h2-11,13,21H,12H2,1H3/t13-/m0/s1
InChIKeyXPKAHPLYQAREIE-ZDUSSCGKSA-N
MW341.25 g/mol
LogP4.85
Rot. Bonds4

About (1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine

(1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine (PubChem CID 81378788) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is (1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine
PubChem CID81378788
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC Name(1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccnc2ccccc12)c1ccccc1Br
InChIInChI=1S/C18H17BrN2/c1-13(15-6-2-4-8-17(15)19)21-12-14-10-11-20-18-9-5-3-7-16(14)18/h2-11,13,21H,12H2,1H3/t13-/m0/s1
InChIKeyXPKAHPLYQAREIE-ZDUSSCGKSA-N
XLogP4.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81383414
(1R)-1-(2-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81384006
1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850384
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 104868148
(1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 81369406
3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine
CID 63852270
(2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol
CID 79253789
1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43780222
1-(5-chlorothiophen-2-yl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850550
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63851225
4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one
CID 143524850
4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]benzene-1,2,3-triol
CID 107730923

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine (CID 81378788) is (1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine is C[C@H](NCc1ccnc2ccccc12)c1ccccc1Br.
What is the InChIKey of (1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine?
The InChIKey is XPKAHPLYQAREIE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-13(15-6-2-4-8-17(15)19)21-12-14-10-11-20-18-9-5-3-7-16(14)18/h2-11,13,21H,12H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine?
(1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine has a molecular weight of 341.25 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine is sourced from PubChem (CID 81378788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).