1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine

C16H18BrNO — CID 60879213

IUPAC1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-2-15(18)14-8-3-4-9-16(14)19-11-12-6-5-7-13(17)10-12/h3-10,15H,2,11,18H2,1H3
InChIKeyMYRGFJYEAZFDGJ-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.44
Rot. Bonds5

About 1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine

1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine (PubChem CID 60879213) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine
PubChem CID60879213
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-2-15(18)14-8-3-4-9-16(14)19-11-12-6-5-7-13(17)10-12/h3-10,15H,2,11,18H2,1H3
InChIKeyMYRGFJYEAZFDGJ-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3-bromophenyl)methoxy]phenyl]ethanol
CID 43504021
3-[[2-(1-aminopropyl)phenoxy]methyl]benzonitrile
CID 60879214
(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 30070823
1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 16782190
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 60879589
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 78932859
1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 60887289
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 78932662
1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 114930018
(1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 55189899

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine (CID 60879213) is 1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine is CCC(N)c1ccccc1OCc1cccc(Br)c1.
What is the InChIKey of 1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine?
The InChIKey is MYRGFJYEAZFDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-2-15(18)14-8-3-4-9-16(14)19-11-12-6-5-7-13(17)10-12/h3-10,15H,2,11,18H2,1H3.
What are the key properties of 1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine?
1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine has a molecular weight of 320.23 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 60879213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).