2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine

C15H24BrNO — CID 65326628

IUPAC2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Cc1cc(OC)ccc1Br
InChIInChI=1S/C15H24BrNO/c1-5-12(10-17-11(2)3)8-13-9-14(18-4)6-7-15(13)16/h6-7,9,11-12,17H,5,8,10H2,1-4H3
InChIKeyLROSWDDLJIJYOW-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.02
Rot. Bonds7

About 2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine

2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine (PubChem CID 65326628) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine
PubChem CID65326628
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Cc1cc(OC)ccc1Br
InChIInChI=1S/C15H24BrNO/c1-5-12(10-17-11(2)3)8-13-9-14(18-4)6-7-15(13)16/h6-7,9,11-12,17H,5,8,10H2,1-4H3
InChIKeyLROSWDDLJIJYOW-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 65327017
1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine
CID 115862236
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715608
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol
CID 65327514
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 65325556
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
1-bromo-2-(3-chloro-2-methylbutyl)-4-methoxybenzene
CID 65326952
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66026670
1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79412793
2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine
CID 65326574

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine (CID 65326628) is 2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)Cc1cc(OC)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine?
The InChIKey is LROSWDDLJIJYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-5-12(10-17-11(2)3)8-13-9-14(18-4)6-7-15(13)16/h6-7,9,11-12,17H,5,8,10H2,1-4H3.
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine?
2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 65326628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).