[4-bromo-2-(2-methylpropoxy)phenyl]methanamine

C11H16BrNO — CID 115581634

IUPAC[4-bromo-2-(2-methylpropoxy)phenyl]methanamine
SMILESCC(C)COc1cc(Br)ccc1CN
InChIInChI=1S/C11H16BrNO/c1-8(2)7-14-11-5-10(12)4-3-9(11)6-13/h3-5,8H,6-7,13H2,1-2H3
InChIKeyLXCNLYIHQRIHIQ-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.94
Rot. Bonds4

About [4-bromo-2-(2-methylpropoxy)phenyl]methanamine

[4-bromo-2-(2-methylpropoxy)phenyl]methanamine (PubChem CID 115581634) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is [4-bromo-2-(2-methylpropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-bromo-2-(2-methylpropoxy)phenyl]methanamine
PubChem CID115581634
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name[4-bromo-2-(2-methylpropoxy)phenyl]methanamine
SMILESCC(C)COc1cc(Br)ccc1CN
InChIInChI=1S/C11H16BrNO/c1-8(2)7-14-11-5-10(12)4-3-9(11)6-13/h3-5,8H,6-7,13H2,1-2H3
InChIKeyLXCNLYIHQRIHIQ-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene
CID 155928749
[4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
CID 63552389
[5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium
CID 7366809
2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 55001986
[5-bromo-2-(2-methylpropoxy)phenyl]methyl methanesulfonate
CID 86690432
[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine
CID 43364972
[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine
CID 43365001
[3-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 61389777
[5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine
CID 114889945
2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine
CID 60905415
[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine
CID 43622057

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(2-methylpropoxy)phenyl]methanamine?
The IUPAC name of [4-bromo-2-(2-methylpropoxy)phenyl]methanamine (CID 115581634) is [4-bromo-2-(2-methylpropoxy)phenyl]methanamine.
What is the SMILES notation for [4-bromo-2-(2-methylpropoxy)phenyl]methanamine?
The canonical SMILES for [4-bromo-2-(2-methylpropoxy)phenyl]methanamine is CC(C)COc1cc(Br)ccc1CN.
What is the InChIKey of [4-bromo-2-(2-methylpropoxy)phenyl]methanamine?
The InChIKey is LXCNLYIHQRIHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8(2)7-14-11-5-10(12)4-3-9(11)6-13/h3-5,8H,6-7,13H2,1-2H3.
What are the key properties of [4-bromo-2-(2-methylpropoxy)phenyl]methanamine?
[4-bromo-2-(2-methylpropoxy)phenyl]methanamine has a molecular weight of 258.16 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(2-methylpropoxy)phenyl]methanamine is sourced from PubChem (CID 115581634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).