3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine

C11H16BrNO — CID 79018649

IUPAC3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)COc1ccccc1Br
InChIInChI=1S/C11H16BrNO/c1-11(2,7-13)8-14-10-6-4-3-5-9(10)12/h3-6H,7-8,13H2,1-2H3
InChIKeyABKMQAMPXGNXLB-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.81
Rot. Bonds4

About 3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine

3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine (PubChem CID 79018649) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine
PubChem CID79018649
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)COc1ccccc1Br
InChIInChI=1S/C11H16BrNO/c1-11(2,7-13)8-14-10-6-4-3-5-9(10)12/h3-6H,7-8,13H2,1-2H3
InChIKeyABKMQAMPXGNXLB-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine
CID 79018629
CID 67791687
CID 67791687
(2-bromophenoxy)methanamine
CID 57278354
N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627719
1-bromo-2-(2,2,3,3,3-pentafluoropropoxy)benzene
CID 95757097
1-bromo-2-(3,3-dimethylbutoxy)benzene
CID 63530273
1-bromo-2-(methoxymethoxy)benzene;ethane
CID 91232598
N-(1-amino-2-methylpropan-2-yl)-3-(2-bromophenoxy)propanamide
CID 119521510
2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine
CID 79018967
1-(3-bromo-2,2-dimethylpropoxy)-2-ethoxybenzene
CID 64995079
1,2-bis(2,2-dimethylpropoxy)benzene
CID 15508253
2-[(2-bromophenoxy)methyl]-3,3-dimethylbutan-1-ol
CID 117242366

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine (CID 79018649) is 3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine is CC(C)(CN)COc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine?
The InChIKey is ABKMQAMPXGNXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-11(2,7-13)8-14-10-6-4-3-5-9(10)12/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine?
3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine has a molecular weight of 258.16 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenoxy)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79018649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).