N-[2-(4-bromophenoxy)ethyl]-2-methylpropan-2-amine;hydrochloride

C12H19BrClNO — CID 2865166

IUPACN-[2-(4-bromophenoxy)ethyl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(C)NCCOc1ccc(Br)cc1.Cl
InChIInChI=1S/C12H18BrNO.ClH/c1-12(2,3)14-8-9-15-11-6-4-10(13)5-7-11;/h4-7,14H,8-9H2,1-3H3;1H
InChIKeyFIPMVEYFPOCQJM-UHFFFAOYSA-N
MW308.65 g/mol
LogP3.64
Rot. Bonds4

About N-[2-(4-bromophenoxy)ethyl]-2-methylpropan-2-amine;hydrochloride

N-[2-(4-bromophenoxy)ethyl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 2865166) has the molecular formula C12H19BrClNO and a molecular weight of 308.65 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-2-methylpropan-2-amine;hydrochloride
PubChem CID2865166
Molecular FormulaC12H19BrClNO
Molecular Weight308.65 g/mol
Exact Mass307.03
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(C)NCCOc1ccc(Br)cc1.Cl
InChIInChI=1S/C12H18BrNO.ClH/c1-12(2,3)14-8-9-15-11-6-4-10(13)5-7-11;/h4-7,14H,8-9H2,1-3H3;1H
InChIKeyFIPMVEYFPOCQJM-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.65
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2-methylpropan-2-amine;hydrochloride (CID 2865166) is N-[2-(4-bromophenoxy)ethyl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-2-methylpropan-2-amine;hydrochloride is CC(C)(C)NCCOc1ccc(Br)cc1.Cl.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is FIPMVEYFPOCQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO.ClH/c1-12(2,3)14-8-9-15-11-6-4-10(13)5-7-11;/h4-7,14H,8-9H2,1-3H3;1H.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-2-methylpropan-2-amine;hydrochloride?
N-[2-(4-bromophenoxy)ethyl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 308.65 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 2865166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).