1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine

C15H16BrNO — CID 60879192

IUPAC1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccccc1OCc1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO/c1-11(17)14-4-2-3-5-15(14)18-10-12-6-8-13(16)9-7-12/h2-9,11H,10,17H2,1H3
InChIKeyIPXLQVCKIWRLPJ-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.05
Rot. Bonds4

About 1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine

1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine (PubChem CID 60879192) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine
PubChem CID60879192
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccccc1OCc1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO/c1-11(17)14-4-2-3-5-15(14)18-10-12-6-8-13(16)9-7-12/h2-9,11H,10,17H2,1H3
InChIKeyIPXLQVCKIWRLPJ-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973755
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
(1R)-1-[2-[(4-bromophenyl)methoxy]phenyl]propan-1-ol
CID 55188606
1-[2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 60880324
(1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 78936454
(1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823809
1-[4-bromo-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 102946440
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
4-[[2-[(1S)-1-aminoethyl]-4-bromophenoxy]methyl]benzonitrile
CID 78937287
2-(2-phenylmethoxyphenyl)butane-1,3-diamine
CID 57280204

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine (CID 60879192) is 1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine is CC(N)c1ccccc1OCc1ccc(Br)cc1.
What is the InChIKey of 1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine?
The InChIKey is IPXLQVCKIWRLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11(17)14-4-2-3-5-15(14)18-10-12-6-8-13(16)9-7-12/h2-9,11H,10,17H2,1H3.
What are the key properties of 1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine?
1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine has a molecular weight of 306.20 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 60879192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).