1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine

C14H15BrN2 — CID 43178958

IUPAC1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCC(NCc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2/c1-11(12-5-7-13(15)8-6-12)17-10-14-4-2-3-9-16-14/h2-9,11,17H,10H2,1H3
InChIKeyFOHNPJCOPVTASK-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.69
Rot. Bonds4

About 1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine

1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 43178958) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID43178958
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCC(NCc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2/c1-11(12-5-7-13(15)8-6-12)17-10-14-4-2-3-9-16-14/h2-9,11,17H,10H2,1H3
InChIKeyFOHNPJCOPVTASK-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81359642
1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol
CID 111421815
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43195718
1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43195697
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 43195719
(1R)-1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78921782
1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 102976235
6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904588
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79040984
(1R)-N-(pyridin-2-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366214
1-(1H-imidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 91513422

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine (CID 43178958) is 1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine is CC(NCc1ccccn1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is FOHNPJCOPVTASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-11(12-5-7-13(15)8-6-12)17-10-14-4-2-3-9-16-14/h2-9,11,17H,10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine?
1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 291.19 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 43178958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).