(1S)-1-(4-bromophenyl)ethanamine

C8H10BrN — CID 852999

IUPAC(1S)-1-(4-bromophenyl)ethanamine
SMILESC[C@H](N)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m0/s1
InChIKeySOZMSEPDYJGBEK-LURJTMIESA-N
MW200.08 g/mol
LogP2.47
Rot. Bonds1

About (1S)-1-(4-bromophenyl)ethanamine

(1S)-1-(4-bromophenyl)ethanamine (PubChem CID 852999) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)ethanamine
PubChem CID852999
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name(1S)-1-(4-bromophenyl)ethanamine
SMILESC[C@H](N)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m0/s1
InChIKeySOZMSEPDYJGBEK-LURJTMIESA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)ethanamine?
The IUPAC name of (1S)-1-(4-bromophenyl)ethanamine (CID 852999) is (1S)-1-(4-bromophenyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-bromophenyl)ethanamine?
The canonical SMILES for (1S)-1-(4-bromophenyl)ethanamine is C[C@H](N)c1ccc(Br)cc1.
What is the InChIKey of (1S)-1-(4-bromophenyl)ethanamine?
The InChIKey is SOZMSEPDYJGBEK-LURJTMIESA-N. The full InChI is InChI=1S/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(4-bromophenyl)ethanamine?
(1S)-1-(4-bromophenyl)ethanamine has a molecular weight of 200.08 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)ethanamine is sourced from PubChem (CID 852999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).