3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine

C12H18BrNO — CID 82825243

IUPAC3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)COCc1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-12(2,8-14)9-15-7-10-4-3-5-11(13)6-10/h3-6H,7-9,14H2,1-2H3
InChIKeyZNWZAPAIYMKLTI-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.95
Rot. Bonds5

About 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine

3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine (PubChem CID 82825243) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine
PubChem CID82825243
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)COCc1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-12(2,8-14)9-15-7-10-4-3-5-11(13)6-10/h3-6H,7-9,14H2,1-2H3
InChIKeyZNWZAPAIYMKLTI-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-thiol
CID 82827092
3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide
CID 82827332
1-[(3-bromophenyl)methoxy]-2,2,4,4-tetramethylpentan-3-one
CID 101476488
4-(3-bromophenyl)-2,2-dimethylbutan-1-amine
CID 83549630
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520
1-[(3-bromophenyl)methoxy]-3,3-dimethylbutan-2-one
CID 82827323
2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide
CID 82826695
1-bromo-3-(propoxymethyl)benzene
CID 57057286
2-[(3-bromophenyl)methoxy]ethanethioamide
CID 82827061
3-[3-(3-bromophenyl)propoxy]-2,2-dimethylpropan-1-ol
CID 171079478
3-[(3-bromophenyl)methoxy]propane-1-sulfonamide
CID 82826920
3,3-dimethyl-4-phenylmethoxybutan-1-amine
CID 122238724

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine (CID 82825243) is 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine is CC(C)(CN)COCc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine?
The InChIKey is ZNWZAPAIYMKLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-12(2,8-14)9-15-7-10-4-3-5-11(13)6-10/h3-6H,7-9,14H2,1-2H3.
What are the key properties of 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine?
3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 82825243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).