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

C16H18BrNO — CID 54930668

IUPAC1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1OCc1ccccc1Br
InChIInChI=1S/C16H18BrNO/c1-12(18)10-13-6-3-5-9-16(13)19-11-14-7-2-4-8-15(14)17/h2-9,12H,10-11,18H2,1H3
InChIKeyAHEAXGSWZGTWRQ-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.92
Rot. Bonds5

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

1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine (PubChem CID 54930668) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine
PubChem CID54930668
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1OCc1ccccc1Br
InChIInChI=1S/C16H18BrNO/c1-12(18)10-13-6-3-5-9-16(13)19-11-14-7-2-4-8-15(14)17/h2-9,12H,10-11,18H2,1H3
InChIKeyAHEAXGSWZGTWRQ-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2-bromophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321926
1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 106269159
2-[(2-bromophenyl)methoxy]aniline
CID 11208190
1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine
CID 79882528
(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine
CID 102946671
1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 79709715
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
1-bromo-2-[(2-prop-2-enylphenoxy)methyl]benzene
CID 91655599
1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
CID 113437064
2-[2-(2-aminopropyl)phenoxy]acetonitrile
CID 60907829
N-[[2-[(2-bromophenyl)methoxy]-5-fluorophenyl]methyl]propan-2-amine
CID 107696130

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine (CID 54930668) is 1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine is CC(N)Cc1ccccc1OCc1ccccc1Br.
What is the InChIKey of 1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is AHEAXGSWZGTWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12(18)10-13-6-3-5-9-16(13)19-11-14-7-2-4-8-15(14)17/h2-9,12H,10-11,18H2,1H3.
What are the key properties of 1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine?
1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine has a molecular weight of 320.23 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 54930668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).