1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine

C12H18BrNO — CID 79198468

IUPAC1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine
SMILESCOC(C)(C)C(N)Cc1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-12(2,15-3)11(14)8-9-5-4-6-10(13)7-9/h4-7,11H,8,14H2,1-3H3
InChIKeySKSXZISOHGJYQG-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.74
Rot. Bonds4

About 1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine

1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine (PubChem CID 79198468) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine
PubChem CID79198468
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine
SMILESCOC(C)(C)C(N)Cc1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-12(2,15-3)11(14)8-9-5-4-6-10(13)7-9/h4-7,11H,8,14H2,1-3H3
InChIKeySKSXZISOHGJYQG-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 116726195
1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759577
1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine
CID 79198122
1-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934
1-(3-bromophenyl)-5,5-dimethylhexan-2-amine
CID 62601843
[1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025177
1-bromo-3-(2-bromo-3,3-dimethylbutyl)benzene
CID 63530904
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459
2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
CID 60798720
1-bromo-3-[2-(bromomethyl)-3,3-dimethylbutyl]benzene
CID 83142669
3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine
CID 79197659
5-(3-bromophenyl)-4-methylpentan-2-amine
CID 64719403

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine (CID 79198468) is 1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine is COC(C)(C)C(N)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine?
The InChIKey is SKSXZISOHGJYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-12(2,15-3)11(14)8-9-5-4-6-10(13)7-9/h4-7,11H,8,14H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine?
1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine has a molecular weight of 272.19 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 79198468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).