2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine

C15H24BrNO — CID 62726093

IUPAC2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)(CC)Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H24BrNO/c1-5-15(3,11-17-6-2)10-12-9-13(16)7-8-14(12)18-4/h7-9,17H,5-6,10-11H2,1-4H3
InChIKeyFPBZCURCPHJGQZ-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.03
Rot. Bonds7

About 2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine

2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine (PubChem CID 62726093) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine
PubChem CID62726093
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)(CC)Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H24BrNO/c1-5-15(3,11-17-6-2)10-12-9-13(16)7-8-14(12)18-4/h7-9,17H,5-6,10-11H2,1-4H3
InChIKeyFPBZCURCPHJGQZ-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63509370
N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine
CID 55106705
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725313
4-bromo-2-(2-chloro-2-methylpropyl)-1-methoxybenzene
CID 4605776
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205817
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)-2-ethylbutan-1-amine
CID 114164348
3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565229
2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
CID 63507590
2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62726256
1-[(5-bromo-2-methoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119237
1-(5-bromo-2-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261862
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-3-oxobutanenitrile
CID 65393806

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine (CID 62726093) is 2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine is CCNCC(C)(CC)Cc1cc(Br)ccc1OC.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine?
The InChIKey is FPBZCURCPHJGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-5-15(3,11-17-6-2)10-12-9-13(16)7-8-14(12)18-4/h7-9,17H,5-6,10-11H2,1-4H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine?
2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methyl]-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 62726093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).