N-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine

C13H20BrNO — CID 103906291

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)N[C@H](C)c1ccccc1Br
InChIInChI=1S/C13H20BrNO/c1-9(11(3)16-4)15-10(2)12-7-5-6-8-13(12)14/h5-11,15H,1-4H3/t9?,10-,11?/m1/s1
InChIKeyMURLAIWNYFQTIM-HSOILSAZSA-N
MW286.21 g/mol
LogP3.52
Rot. Bonds5

About N-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine

N-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine (PubChem CID 103906291) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine
PubChem CID103906291
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)N[C@H](C)c1ccccc1Br
InChIInChI=1S/C13H20BrNO/c1-9(11(3)16-4)15-10(2)12-7-5-6-8-13(12)14/h5-11,15H,1-4H3/t9?,10-,11?/m1/s1
InChIKeyMURLAIWNYFQTIM-HSOILSAZSA-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]-3-methylbutan-2-amine
CID 43131330
1-(2-bromophenyl)-N-methoxyethanamine
CID 78971724
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371563
N-[1-(2-bromophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43680054
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
2-bromo-N-(3-methoxybutan-2-yl)aniline
CID 115928171
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133
N-[1-(3-bromophenyl)ethyl]-3-methoxybutan-2-amine
CID 115708263
2,6-dibromo-N-(3-methoxybutan-2-yl)aniline
CID 107597295

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine (CID 103906291) is N-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine is COC(C)C(C)N[C@H](C)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine?
The InChIKey is MURLAIWNYFQTIM-HSOILSAZSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-9(11(3)16-4)15-10(2)12-7-5-6-8-13(12)14/h5-11,15H,1-4H3/t9?,10-,11?/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine?
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-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-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine is sourced from PubChem (CID 103906291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).