(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine

C15H17BrN2 — CID 81382701

IUPAC(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
SMILESC[C@@H](NCCc1cccnc1)c1cccc(Br)c1
InChIInChI=1S/C15H17BrN2/c1-12(14-5-2-6-15(16)10-14)18-9-7-13-4-3-8-17-11-13/h2-6,8,10-12,18H,7,9H2,1H3/t12-/m1/s1
InChIKeyRAYAGZMASYRBNA-GFCCVEGCSA-N
MW305.22 g/mol
LogP3.74
Rot. Bonds5

About (1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine

(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine (PubChem CID 81382701) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
PubChem CID81382701
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
SMILESC[C@@H](NCCc1cccnc1)c1cccc(Br)c1
InChIInChI=1S/C15H17BrN2/c1-12(14-5-2-6-15(16)10-14)18-9-7-13-4-3-8-17-11-13/h2-6,8,10-12,18H,7,9H2,1H3/t12-/m1/s1
InChIKeyRAYAGZMASYRBNA-GFCCVEGCSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-2-(2-pyridin-3-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 56932438
1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139230
N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine
CID 43094769
1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758584
(1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
CID 104797063
1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896080
1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896071
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187
N-ethyl-1-[3-(2-pyridin-3-ylethylsulfanyl)phenyl]ethanamine
CID 64664651
N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 60913402
N-[1-(3-bromophenyl)ethyl]butan-1-amine
CID 43192396

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
The IUPAC name of (1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine (CID 81382701) is (1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine is C[C@@H](NCCc1cccnc1)c1cccc(Br)c1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
The InChIKey is RAYAGZMASYRBNA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-12(14-5-2-6-15(16)10-14)18-9-7-13-4-3-8-17-11-13/h2-6,8,10-12,18H,7,9H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine has a molecular weight of 305.22 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine is sourced from PubChem (CID 81382701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).