[5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine

C12H18BrNO — CID 114889945

IUPAC[5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine
SMILESCC(C)C(C)Oc1ccc(Br)cc1CN
InChIInChI=1S/C12H18BrNO/c1-8(2)9(3)15-12-5-4-11(13)6-10(12)7-14/h4-6,8-9H,7,14H2,1-3H3
InChIKeyLRTFTIUNDJOCHH-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.33
Rot. Bonds4

About [5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine

[5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine (PubChem CID 114889945) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is [5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine
PubChem CID114889945
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name[5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine
SMILESCC(C)C(C)Oc1ccc(Br)cc1CN
InChIInChI=1S/C12H18BrNO/c1-8(2)9(3)15-12-5-4-11(13)6-10(12)7-14/h4-6,8-9H,7,14H2,1-3H3
InChIKeyLRTFTIUNDJOCHH-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-but-3-en-2-yloxyphenyl)methanamine
CID 62387607
[5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine
CID 103486275
2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 60905780
2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide
CID 43125653
2-[2-(aminomethyl)-4-bromophenoxy]butanoic acid
CID 64669698
5-bromo-2-(3-methylbutan-2-yloxy)benzenecarbothioamide
CID 114892284
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene
CID 28981483
[5-bromo-2-(2-butan-2-ylphenoxy)phenyl]methanamine
CID 114889865
(5-bromo-2-decoxyphenyl)methanamine
CID 63499328
[5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 60878117
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine?
The IUPAC name of [5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine (CID 114889945) is [5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine?
The canonical SMILES for [5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine is CC(C)C(C)Oc1ccc(Br)cc1CN.
What is the InChIKey of [5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine?
The InChIKey is LRTFTIUNDJOCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-8(2)9(3)15-12-5-4-11(13)6-10(12)7-14/h4-6,8-9H,7,14H2,1-3H3.
What are the key properties of [5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine?
[5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine has a molecular weight of 272.19 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine is sourced from PubChem (CID 114889945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).