N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine

C15H17BrN2O — CID 60694300

IUPACN-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine
SMILESCC(NCCOc1cccc(Br)c1)c1ccccn1
InChIInChI=1S/C15H17BrN2O/c1-12(15-7-2-3-8-18-15)17-9-10-19-14-6-4-5-13(16)11-14/h2-8,11-12,17H,9-10H2,1H3
InChIKeyHHKQOXUEYZEUEE-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.57
Rot. Bonds6

About N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine

N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine (PubChem CID 60694300) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine
PubChem CID60694300
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine
SMILESCC(NCCOc1cccc(Br)c1)c1ccccn1
InChIInChI=1S/C15H17BrN2O/c1-12(15-7-2-3-8-18-15)17-9-10-19-14-6-4-5-13(16)11-14/h2-8,11-12,17H,9-10H2,1H3
InChIKeyHHKQOXUEYZEUEE-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide
CID 124849874
3-[2-[[(1S)-1-pyridin-2-ylethyl]amino]ethoxy]benzonitrile
CID 124615747
(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
CID 81381208
(1S)-N-[2-(3-bromophenoxy)ethyl]-1-(2-chlorophenyl)ethanamine
CID 81378313
1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine
CID 163538279
(1S)-1-(3-bromophenyl)-N-(2-phenoxyethyl)ethanamine
CID 81381212
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
N-[2-(3-bromophenoxy)ethyl]-1-phenylpropan-2-amine
CID 63011429
3-[2-(3-bromophenoxy)ethylamino]-2-methylbutan-1-ol
CID 113484809
3-bromo-N-(1-pyridin-2-ylethyl)aniline
CID 43194583
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine
CID 106452331
(1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 81407500

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine (CID 60694300) is N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine is CC(NCCOc1cccc(Br)c1)c1ccccn1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine?
The InChIKey is HHKQOXUEYZEUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-12(15-7-2-3-8-18-15)17-9-10-19-14-6-4-5-13(16)11-14/h2-8,11-12,17H,9-10H2,1H3.
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine?
N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 60694300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).