N-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride

C15H25BrClNO — CID 2980736

IUPACN-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)COc1ccc(Br)cc1CNC(C)(C)C.Cl
InChIInChI=1S/C15H24BrNO.ClH/c1-11(2)10-18-14-7-6-13(16)8-12(14)9-17-15(3,4)5;/h6-8,11,17H,9-10H2,1-5H3;1H
InChIKeyJUCVEYAOJWYMQQ-UHFFFAOYSA-N
MW350.73 g/mol
LogP4.79
Rot. Bonds5

About N-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride

N-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 2980736) has the molecular formula C15H25BrClNO and a molecular weight of 350.73 g/mol. Its IUPAC name is N-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
PubChem CID2980736
Molecular FormulaC15H25BrClNO
Molecular Weight350.73 g/mol
Exact Mass349.08
IUPAC NameN-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)COc1ccc(Br)cc1CNC(C)(C)C.Cl
InChIInChI=1S/C15H24BrNO.ClH/c1-11(2)10-18-14-7-6-13(16)8-12(14)9-17-15(3,4)5;/h6-8,11,17H,9-10H2,1-5H3;1H
InChIKeyJUCVEYAOJWYMQQ-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.73
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of N-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride (CID 2980736) is N-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for N-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride is CC(C)COc1ccc(Br)cc1CNC(C)(C)C.Cl.
What is the InChIKey of N-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is JUCVEYAOJWYMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO.ClH/c1-11(2)10-18-14-7-6-13(16)8-12(14)9-17-15(3,4)5;/h6-8,11,17H,9-10H2,1-5H3;1H.
What are the key properties of N-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride?
N-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 350.73 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 2980736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).