2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine

C13H20BrNO — CID 62504322

IUPAC2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine
SMILESCCCC(CN)Cc1cc(Br)ccc1OC
InChIInChI=1S/C13H20BrNO/c1-3-4-10(9-15)7-11-8-12(14)5-6-13(11)16-2/h5-6,8,10H,3-4,7,9,15H2,1-2H3
InChIKeyBPMXLKXZQAEWOC-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.38
Rot. Bonds6

About 2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine

2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine (PubChem CID 62504322) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine
PubChem CID62504322
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine
SMILESCCCC(CN)Cc1cc(Br)ccc1OC
InChIInChI=1S/C13H20BrNO/c1-3-4-10(9-15)7-11-8-12(14)5-6-13(11)16-2/h5-6,8,10H,3-4,7,9,15H2,1-2H3
InChIKeyBPMXLKXZQAEWOC-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine
CID 62505917
4-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 81013850
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
4-(5-bromo-2-methoxyphenyl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443576
3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 112538811
1-(5-bromo-2-methoxyphenyl)undecan-2-ol
CID 115779222
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
2-[(4-bromophenyl)methyl]pentan-1-amine
CID 62505880
1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine
CID 116719357
3-N-[(5-bromo-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040347
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine
CID 63496704
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717971

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine (CID 62504322) is 2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine is CCCC(CN)Cc1cc(Br)ccc1OC.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine?
The InChIKey is BPMXLKXZQAEWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-3-4-10(9-15)7-11-8-12(14)5-6-13(11)16-2/h5-6,8,10H,3-4,7,9,15H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine?
2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.38, 6 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]pentan-1-amine is sourced from PubChem (CID 62504322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).