[3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine

C15H23BrN2O — CID 102813717

IUPAC[3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine
SMILESCCCOC1CCCN(c2cc(Br)cc(CN)c2)C1
InChIInChI=1S/C15H23BrN2O/c1-2-6-19-15-4-3-5-18(11-15)14-8-12(10-17)7-13(16)9-14/h7-9,15H,2-6,10-11,17H2,1H3
InChIKeyYDMXHLXEKXYLBD-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.30
Rot. Bonds5

About [3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine

[3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine (PubChem CID 102813717) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is [3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine
PubChem CID102813717
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name[3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine
SMILESCCCOC1CCCN(c2cc(Br)cc(CN)c2)C1
InChIInChI=1S/C15H23BrN2O/c1-2-6-19-15-4-3-5-18(11-15)14-8-12(10-17)7-13(16)9-14/h7-9,15H,2-6,10-11,17H2,1H3
InChIKeyYDMXHLXEKXYLBD-UHFFFAOYSA-N
XLogP3.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-(3-propoxypiperidin-1-yl)pyridine
CID 112695219
[3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine
CID 63075929
4-bromo-2-(3-propoxypiperidin-1-yl)aniline
CID 65343390
5-bromo-2-(3-propoxypiperidin-1-yl)aniline
CID 54985623
[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-bromophenyl]methanamine
CID 102813555
[3-bromo-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanamine
CID 102814200
4-bromo-2-(3-propoxypiperidin-1-yl)benzenecarbothioamide
CID 114902998
[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106960042
1-[4-bromo-2-(3-propoxypiperidin-1-yl)phenyl]ethanone
CID 82967445
2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline
CID 83004888
1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone
CID 104528611
1-[5-bromo-2-(3-propoxypiperidin-1-yl)phenyl]ethanone
CID 82967366

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine (CID 102813717) is [3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine is CCCOC1CCCN(c2cc(Br)cc(CN)c2)C1.
What is the InChIKey of [3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine?
The InChIKey is YDMXHLXEKXYLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-2-6-19-15-4-3-5-18(11-15)14-8-12(10-17)7-13(16)9-14/h7-9,15H,2-6,10-11,17H2,1H3.
What are the key properties of [3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine?
[3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine has a molecular weight of 327.27 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 102813717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).