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

C11H16BrNO — CID 61389777

IUPAC[3-bromo-2-(2-methylpropoxy)phenyl]methanamine
SMILESCC(C)COc1c(Br)cccc1CN
InChIInChI=1S/C11H16BrNO/c1-8(2)7-14-11-9(6-13)4-3-5-10(11)12/h3-5,8H,6-7,13H2,1-2H3
InChIKeyMHFMJLACYOYTEP-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.94
Rot. Bonds4

About [3-bromo-2-(2-methylpropoxy)phenyl]methanamine

[3-bromo-2-(2-methylpropoxy)phenyl]methanamine (PubChem CID 61389777) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is [3-bromo-2-(2-methylpropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-2-(2-methylpropoxy)phenyl]methanamine
PubChem CID61389777
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name[3-bromo-2-(2-methylpropoxy)phenyl]methanamine
SMILESCC(C)COc1c(Br)cccc1CN
InChIInChI=1S/C11H16BrNO/c1-8(2)7-14-11-9(6-13)4-3-5-10(11)12/h3-5,8H,6-7,13H2,1-2H3
InChIKeyMHFMJLACYOYTEP-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

1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine
CID 61389671
[3-bromo-2-(2-propan-2-yloxyethoxy)phenyl]methanamine
CID 61484994
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
CID 71755622
[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine
CID 61389790
(3-bromo-2-decoxyphenyl)methanamine
CID 63500475
[3-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112588134
(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 91799383
[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine
CID 61389794
[3-bromo-2-(3-methylbut-3-enoxy)phenyl]methanamine
CID 114471527
[3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine
CID 107741240
5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol
CID 62228230
[3-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936766

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-(2-methylpropoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-2-(2-methylpropoxy)phenyl]methanamine (CID 61389777) is [3-bromo-2-(2-methylpropoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-2-(2-methylpropoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-2-(2-methylpropoxy)phenyl]methanamine is CC(C)COc1c(Br)cccc1CN.
What is the InChIKey of [3-bromo-2-(2-methylpropoxy)phenyl]methanamine?
The InChIKey is MHFMJLACYOYTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8(2)7-14-11-9(6-13)4-3-5-10(11)12/h3-5,8H,6-7,13H2,1-2H3.
What are the key properties of [3-bromo-2-(2-methylpropoxy)phenyl]methanamine?
[3-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 [3-bromo-2-(2-methylpropoxy)phenyl]methanamine is sourced from PubChem (CID 61389777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).