1-(4-bromo-3,5-dimethylphenoxy)-2-methylpropan-2-amine

C12H18BrNO — CID 164607090

IUPAC1-(4-bromo-3,5-dimethylphenoxy)-2-methylpropan-2-amine
SMILESCc1cc(OCC(C)(C)N)cc(C)c1Br
InChIInChI=1S/C12H18BrNO/c1-8-5-10(6-9(2)11(8)13)15-7-12(3,4)14/h5-6H,7,14H2,1-4H3
InChIKeyBZRPKDRLZZAIGP-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.18
Rot. Bonds3

About 1-(4-bromo-3,5-dimethylphenoxy)-2-methylpropan-2-amine

1-(4-bromo-3,5-dimethylphenoxy)-2-methylpropan-2-amine (PubChem CID 164607090) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenoxy)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenoxy)-2-methylpropan-2-amine
PubChem CID164607090
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(4-bromo-3,5-dimethylphenoxy)-2-methylpropan-2-amine
SMILESCc1cc(OCC(C)(C)N)cc(C)c1Br
InChIInChI=1S/C12H18BrNO/c1-8-5-10(6-9(2)11(8)13)15-7-12(3,4)14/h5-6H,7,14H2,1-4H3
InChIKeyBZRPKDRLZZAIGP-UHFFFAOYSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene
CID 107723472
1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine
CID 142787277
2-(4-bromo-3,5-dimethylphenoxy)acetonitrile
CID 22688454
4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene
CID 107723788
3-(4-bromo-3,5-dimethylphenoxy)propanamide
CID 107723524
1-(4-methoxyphenoxy)-2-methylpropan-2-amine
CID 18349748
[3-[(4-bromo-3,5-dimethylphenoxy)methyl]-5-fluorophenyl]methanamine
CID 107722883
6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide
CID 107724712
3-(4-bromo-3,5-dimethylphenoxy)propane-1-sulfonyl chloride
CID 107727027
2-bromo-1,3-dimethyl-5-(4-methylpentoxy)benzene
CID 107723972
6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol
CID 107723451
(2S)-4-(4-bromo-3,5-dimethylphenoxy)butan-2-ol
CID 129387597

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenoxy)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenoxy)-2-methylpropan-2-amine (CID 164607090) is 1-(4-bromo-3,5-dimethylphenoxy)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenoxy)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenoxy)-2-methylpropan-2-amine is Cc1cc(OCC(C)(C)N)cc(C)c1Br.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenoxy)-2-methylpropan-2-amine?
The InChIKey is BZRPKDRLZZAIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-8-5-10(6-9(2)11(8)13)15-7-12(3,4)14/h5-6H,7,14H2,1-4H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenoxy)-2-methylpropan-2-amine?
1-(4-bromo-3,5-dimethylphenoxy)-2-methylpropan-2-amine has a molecular weight of 272.19 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenoxy)-2-methylpropan-2-amine is sourced from PubChem (CID 164607090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).