N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine

C13H20BrNO — CID 115664039

IUPACN-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNC(C)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-10(15-9-13(2,3)16-4)11-5-7-12(14)8-6-11/h5-8,10,15H,9H2,1-4H3
InChIKeyNJSVEFWRPMCQFA-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.52
Rot. Bonds5

About N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine

N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine (PubChem CID 115664039) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
PubChem CID115664039
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNC(C)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-10(15-9-13(2,3)16-4)11-5-7-12(14)8-6-11/h5-8,10,15H,9H2,1-4H3
InChIKeyNJSVEFWRPMCQFA-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-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115728734
N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664067
2-methoxy-N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
CID 115664040
N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 172883235
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 104930502
4-bromo-N-(2-methoxy-2-methylpropyl)aniline
CID 130906263
1-(4-bromophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 112695735
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
2-methoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 115728707
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 113436567
N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 60749843
(2S)-1-[[(1S)-1-(4-bromophenyl)ethyl]amino]propan-2-ol
CID 93082226

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine (CID 115664039) is N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine is COC(C)(C)CNC(C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine?
The InChIKey is NJSVEFWRPMCQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-10(15-9-13(2,3)16-4)11-5-7-12(14)8-6-11/h5-8,10,15H,9H2,1-4H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine?
N-[1-(4-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-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 115664039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).