(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine

C15H16BrNO — CID 78937030

IUPAC(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
SMILESC[C@H](N)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C15H16BrNO/c1-11(17)14-9-13(16)7-8-15(14)18-10-12-5-3-2-4-6-12/h2-9,11H,10,17H2,1H3/t11-/m0/s1
InChIKeyBHASDGVGPGZIJW-NSHDSACASA-N
MW306.20 g/mol
LogP4.05
Rot. Bonds4

About (1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine

(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine (PubChem CID 78937030) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is (1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
PubChem CID78937030
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
SMILESC[C@H](N)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C15H16BrNO/c1-11(17)14-9-13(16)7-8-15(14)18-10-12-5-3-2-4-6-12/h2-9,11H,10,17H2,1H3/t11-/m0/s1
InChIKeyBHASDGVGPGZIJW-NSHDSACASA-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

(1R)-1-[5-bromo-2-(phenylmethoxymethoxy)phenyl]ethanamine
CID 102939496
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 63499604
4-[[2-[(1S)-1-aminoethyl]-4-bromophenoxy]methyl]benzonitrile
CID 78937287
(1R)-1-[5-bromo-2-(4-phenylbutoxy)phenyl]ethanamine
CID 104893814
1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine
CID 60879192
1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 60887289
(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 78937400
2-(5-bromo-2-phenylmethoxyphenyl)propane-1,3-diol
CID 156555917
1-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]ethanamine
CID 62369867
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 78932662
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine?
The IUPAC name of (1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine (CID 78937030) is (1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine?
The canonical SMILES for (1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine is C[C@H](N)c1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of (1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine?
The InChIKey is BHASDGVGPGZIJW-NSHDSACASA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11(17)14-9-13(16)7-8-15(14)18-10-12-5-3-2-4-6-12/h2-9,11H,10,17H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine?
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)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 (1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine is sourced from PubChem (CID 78937030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).