4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine

C13H20BrNO — CID 62318544

IUPAC4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine
SMILESCCNC(CCc1ccccc1Br)COC
InChIInChI=1S/C13H20BrNO/c1-3-15-12(10-16-2)9-8-11-6-4-5-7-13(11)14/h4-7,12,15H,3,8-10H2,1-2H3
InChIKeyFKEDTRAHWXMKDF-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.01
Rot. Bonds7

About 4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine

4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine (PubChem CID 62318544) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine
PubChem CID62318544
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine
SMILESCCNC(CCc1ccccc1Br)COC
InChIInChI=1S/C13H20BrNO/c1-3-15-12(10-16-2)9-8-11-6-4-5-7-13(11)14/h4-7,12,15H,3,8-10H2,1-2H3
InChIKeyFKEDTRAHWXMKDF-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 54891491
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine
CID 105372347
1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105087681
4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine
CID 62318913
N-ethyl-4-(2-fluoro-3-nitrophenyl)-1-methoxybutan-2-amine
CID 107350053
4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine
CID 104800074
1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105087369
1-(2-bromo-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63416964
1-(2-ethoxyphenoxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506539
5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine
CID 62319836
N,5-diethyl-1-(2-methylphenyl)heptan-3-amine
CID 105176885

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine?
The IUPAC name of 4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine (CID 62318544) is 4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine.
What is the SMILES notation for 4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine?
The canonical SMILES for 4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine is CCNC(CCc1ccccc1Br)COC.
What is the InChIKey of 4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine?
The InChIKey is FKEDTRAHWXMKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-3-15-12(10-16-2)9-8-11-6-4-5-7-13(11)14/h4-7,12,15H,3,8-10H2,1-2H3.
What are the key properties of 4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine?
4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine has a molecular weight of 286.21 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine is sourced from PubChem (CID 62318544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).