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

C10H14BrN — CID 60818893

IUPAC1-(3-bromophenyl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cccc(Br)c1
InChIInChI=1S/C10H14BrN/c1-8(12-2)6-9-4-3-5-10(11)7-9/h3-5,7-8,12H,6H2,1-2H3
InChIKeyNJECBXFYELEKOF-UHFFFAOYSA-N
MW228.13 g/mol
LogP2.60
Rot. Bonds3

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

1-(3-bromophenyl)-N-methylpropan-2-amine (PubChem CID 60818893) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-methylpropan-2-amine
PubChem CID60818893
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name1-(3-bromophenyl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cccc(Br)c1
InChIInChI=1S/C10H14BrN/c1-8(12-2)6-9-4-3-5-10(11)7-9/h3-5,7-8,12H,6H2,1-2H3
InChIKeyNJECBXFYELEKOF-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-methylpropan-2-amine (CID 60818893) is 1-(3-bromophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-methylpropan-2-amine is CNC(C)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-methylpropan-2-amine?
The InChIKey is NJECBXFYELEKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-8(12-2)6-9-4-3-5-10(11)7-9/h3-5,7-8,12H,6H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-methylpropan-2-amine?
1-(3-bromophenyl)-N-methylpropan-2-amine has a molecular weight of 228.13 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 60818893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).