1-(2-bromophenyl)propan-2-amine

C9H12BrN — CID 22026326

IUPAC1-(2-bromophenyl)propan-2-amine
SMILESCC(N)Cc1ccccc1Br
InChIInChI=1S/C9H12BrN/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5,7H,6,11H2,1H3
InChIKeyVGJBPBDFJNFFRO-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.34
Rot. Bonds2

About 1-(2-bromophenyl)propan-2-amine

1-(2-bromophenyl)propan-2-amine (PubChem CID 22026326) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 1-(2-bromophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)propan-2-amine
PubChem CID22026326
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name1-(2-bromophenyl)propan-2-amine
SMILESCC(N)Cc1ccccc1Br
InChIInChI=1S/C9H12BrN/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5,7H,6,11H2,1H3
InChIKeyVGJBPBDFJNFFRO-UHFFFAOYSA-N
XLogP2.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)propan-2-amine (CID 22026326) is 1-(2-bromophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)propan-2-amine is CC(N)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)propan-2-amine?
The InChIKey is VGJBPBDFJNFFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5,7H,6,11H2,1H3.
What are the key properties of 1-(2-bromophenyl)propan-2-amine?
1-(2-bromophenyl)propan-2-amine has a molecular weight of 214.11 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)propan-2-amine is sourced from PubChem (CID 22026326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).