2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine

C13H20BrNO — CID 82828053

IUPAC2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)OCc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-13(2,3)12(8-15)16-9-10-4-6-11(14)7-5-10/h4-7,12H,8-9,15H2,1-3H3
InChIKeyNBQQYJVIBQOOAA-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.34
Rot. Bonds4

About 2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine

2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine (PubChem CID 82828053) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine
PubChem CID82828053
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)OCc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-13(2,3)12(8-15)16-9-10-4-6-11(14)7-5-10/h4-7,12H,8-9,15H2,1-3H3
InChIKeyNBQQYJVIBQOOAA-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromophenyl)methoxy]pentan-1-amine
CID 82831924
1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene
CID 154634128
1-bromo-4-[[(2R,3R)-1,4-dibromo-3-[(4-bromophenyl)methoxy]butan-2-yl]oxymethyl]benzene
CID 132518009
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]ethanamine
CID 82828633
1-bromo-4-(2,2-dibromopropoxymethyl)benzene
CID 67833437
1-(4-bromophenyl)-3,3-dimethylbutan-2-ol
CID 60798446
methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate
CID 103338168
(4-bromophenyl)methyl 3-amino-2-hydroxypropanoate
CID 82824333
1-bromo-4-(3,3-dimethylbutoxymethyl)benzene
CID 66225376
3-(4-bromophenyl)-2,2-dimethylpropan-1-amine
CID 56687188
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
CID 94460671
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine (CID 82828053) is 2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine is CC(C)(C)C(CN)OCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine?
The InChIKey is NBQQYJVIBQOOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-13(2,3)12(8-15)16-9-10-4-6-11(14)7-5-10/h4-7,12H,8-9,15H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine?
2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 82828053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).