3-(4-bromophenyl)-N,N-dimethylpropan-1-amine

C11H16BrN — CID 10588701

IUPAC3-(4-bromophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(Br)cc1
InChIInChI=1S/C11H16BrN/c1-13(2)9-3-4-10-5-7-11(12)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKeyIOMFCJMOTBSZFZ-UHFFFAOYSA-N
MW242.16 g/mol
LogP2.94
Rot. Bonds4

About 3-(4-bromophenyl)-N,N-dimethylpropan-1-amine

3-(4-bromophenyl)-N,N-dimethylpropan-1-amine (PubChem CID 10588701) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N,N-dimethylpropan-1-amine
PubChem CID10588701
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name3-(4-bromophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(Br)cc1
InChIInChI=1S/C11H16BrN/c1-13(2)9-3-4-10-5-7-11(12)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKeyIOMFCJMOTBSZFZ-UHFFFAOYSA-N
XLogP2.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N,N-dimethylpropan-1-amine (CID 10588701) is 3-(4-bromophenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is IOMFCJMOTBSZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-13(2)9-3-4-10-5-7-11(12)8-6-10/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-N,N-dimethylpropan-1-amine?
3-(4-bromophenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 242.16 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 10588701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).