N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine

C13H20BrNO — CID 115664067

IUPACN-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNC(C)c1ccccc1Br
InChIInChI=1S/C13H20BrNO/c1-10(15-9-13(2,3)16-4)11-7-5-6-8-12(11)14/h5-8,10,15H,9H2,1-4H3
InChIKeyYQJJMOOOMLRKMV-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.52
Rot. Bonds5

About N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine

N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine (PubChem CID 115664067) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
PubChem CID115664067
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNC(C)c1ccccc1Br
InChIInChI=1S/C13H20BrNO/c1-10(15-9-13(2,3)16-4)11-7-5-6-8-12(11)14/h5-8,10,15H,9H2,1-4H3
InChIKeyYQJJMOOOMLRKMV-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61168179
N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664039
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine
CID 81383492
2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 115728760
(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
1-(2-bromophenyl)-N-methoxyethanamine
CID 78971724
N-[1-(2-bromophenyl)ethyl]but-2-yn-1-amine
CID 115865718
N-[1-(2,4-difluorophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 113245730
1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81383910
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide
CID 113344954
N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine
CID 43223398
N-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine
CID 43824431

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine (CID 115664067) is N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine is COC(C)(C)CNC(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine?
The InChIKey is YQJJMOOOMLRKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-10(15-9-13(2,3)16-4)11-7-5-6-8-12(11)14/h5-8,10,15H,9H2,1-4H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine?
N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 115664067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).