2-(4-bromophenyl)-2-methoxypropan-1-amine

C10H14BrNO — CID 82294040

IUPAC2-(4-bromophenyl)-2-methoxypropan-1-amine
SMILESCOC(C)(CN)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO/c1-10(7-12,13-2)8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3
InChIKeyFPOZYDORTHRYIT-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.27
Rot. Bonds3

About 2-(4-bromophenyl)-2-methoxypropan-1-amine

2-(4-bromophenyl)-2-methoxypropan-1-amine (PubChem CID 82294040) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-methoxypropan-1-amine
PubChem CID82294040
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-(4-bromophenyl)-2-methoxypropan-1-amine
SMILESCOC(C)(CN)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO/c1-10(7-12,13-2)8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3
InChIKeyFPOZYDORTHRYIT-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-methoxypropan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-2-methoxypropan-1-amine (CID 82294040) is 2-(4-bromophenyl)-2-methoxypropan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-2-methoxypropan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-2-methoxypropan-1-amine is COC(C)(CN)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-methoxypropan-1-amine?
The InChIKey is FPOZYDORTHRYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-10(7-12,13-2)8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-2-methoxypropan-1-amine?
2-(4-bromophenyl)-2-methoxypropan-1-amine has a molecular weight of 244.13 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-methoxypropan-1-amine is sourced from PubChem (CID 82294040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).