2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine

C14H15BrN2O — CID 82827586

IUPAC2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine
SMILESNCC(OCc1cccc(Br)c1)c1cccnc1
InChIInChI=1S/C14H15BrN2O/c15-13-5-1-3-11(7-13)10-18-14(8-16)12-4-2-6-17-9-12/h1-7,9,14H,8,10,16H2
InChIKeyDOYQDGNKNBNPHK-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.06
Rot. Bonds5

About 2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine

2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine (PubChem CID 82827586) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine
PubChem CID82827586
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine
SMILESNCC(OCc1cccc(Br)c1)c1cccnc1
InChIInChI=1S/C14H15BrN2O/c15-13-5-1-3-11(7-13)10-18-14(8-16)12-4-2-6-17-9-12/h1-7,9,14H,8,10,16H2
InChIKeyDOYQDGNKNBNPHK-UHFFFAOYSA-N
XLogP3.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]ethanamine
CID 82828633
3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine
CID 63018745
N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378943
2-(5-bromo-2-fluorophenoxy)-2-pyridin-3-ylethanamine
CID 114671799
2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine
CID 107722734
1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine
CID 57425763
2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine
CID 106446864
2-(2-cyclobutylethoxy)-2-pyridin-3-ylethanamine
CID 106200033
2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 95690418
1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole
CID 155549556
1-bromo-3-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]benzene
CID 82831276
2-[(3-bromophenyl)methoxy]-2-phenylacetic acid
CID 82827786

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine (CID 82827586) is 2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine is NCC(OCc1cccc(Br)c1)c1cccnc1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine?
The InChIKey is DOYQDGNKNBNPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-13-5-1-3-11(7-13)10-18-14(8-16)12-4-2-6-17-9-12/h1-7,9,14H,8,10,16H2.
What are the key properties of 2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine?
2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine has a molecular weight of 307.19 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 82827586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).