[1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine

C16H25BrN2O — CID 103353134

IUPAC[1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2cc(OC)ccc2Br)C(CN)C1
InChIInChI=1S/C16H25BrN2O/c1-3-12-6-7-19(14(8-12)10-18)11-13-9-15(20-2)4-5-16(13)17/h4-5,9,12,14H,3,6-8,10-11,18H2,1-2H3
InChIKeyIZLDJKDBRUZCEE-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.41
Rot. Bonds5

About [1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine

[1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine (PubChem CID 103353134) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is [1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
PubChem CID103353134
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name[1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2cc(OC)ccc2Br)C(CN)C1
InChIInChI=1S/C16H25BrN2O/c1-3-12-6-7-19(14(8-12)10-18)11-13-9-15(20-2)4-5-16(13)17/h4-5,9,12,14H,3,6-8,10-11,18H2,1-2H3
InChIKeyIZLDJKDBRUZCEE-UHFFFAOYSA-N
XLogP3.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 65326810
4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine
CID 65326745
[1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351813
[1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351706
[1-[(2-bromo-5-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 116637167
[1-[(2-bromo-5-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622737
[4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine
CID 103351708
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115302526
(4aR,8aR)-1-[(2-bromo-5-methoxyphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727810
[1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351610
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 65322923
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 65322729

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine (CID 103353134) is [1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine is CCC1CCN(Cc2cc(OC)ccc2Br)C(CN)C1.
What is the InChIKey of [1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
The InChIKey is IZLDJKDBRUZCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-3-12-6-7-19(14(8-12)10-18)11-13-9-15(20-2)4-5-16(13)17/h4-5,9,12,14H,3,6-8,10-11,18H2,1-2H3.
What are the key properties of [1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
[1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine has a molecular weight of 341.29 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103353134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).