1-(3-bromophenyl)-2-methylpropan-2-amine

C10H14BrN — CID 23087717

IUPAC1-(3-bromophenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cccc(Br)c1
InChIInChI=1S/C10H14BrN/c1-10(2,12)7-8-4-3-5-9(11)6-8/h3-6H,7,12H2,1-2H3
InChIKeyVUJANHVNFQTFTH-UHFFFAOYSA-N
MW228.13 g/mol
LogP2.73
Rot. Bonds2

About 1-(3-bromophenyl)-2-methylpropan-2-amine

1-(3-bromophenyl)-2-methylpropan-2-amine (PubChem CID 23087717) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-methylpropan-2-amine
PubChem CID23087717
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name1-(3-bromophenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cccc(Br)c1
InChIInChI=1S/C10H14BrN/c1-10(2,12)7-8-4-3-5-9(11)6-8/h3-6H,7,12H2,1-2H3
InChIKeyVUJANHVNFQTFTH-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-2-methylpropan-2-amine (CID 23087717) is 1-(3-bromophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-2-methylpropan-2-amine is CC(C)(N)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-methylpropan-2-amine?
The InChIKey is VUJANHVNFQTFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-10(2,12)7-8-4-3-5-9(11)6-8/h3-6H,7,12H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-methylpropan-2-amine?
1-(3-bromophenyl)-2-methylpropan-2-amine has a molecular weight of 228.13 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 23087717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).