(1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine

C15H23BrN2O — CID 107393114

IUPAC(1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCOC1(C)CCCN(c2ccc([C@@H](C)N)cc2Br)C1
InChIInChI=1S/C15H23BrN2O/c1-11(17)12-5-6-14(13(16)9-12)18-8-4-7-15(2,10-18)19-3/h5-6,9,11H,4,7-8,10,17H2,1-3H3/t11-,15?/m1/s1
InChIKeyLXIQFGFILLTYON-ZRKZCGFPSA-N
MW327.27 g/mol
LogP3.47
Rot. Bonds3

About (1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine

(1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 107393114) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine
PubChem CID107393114
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name(1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCOC1(C)CCCN(c2ccc([C@@H](C)N)cc2Br)C1
InChIInChI=1S/C15H23BrN2O/c1-11(17)12-5-6-14(13(16)9-12)18-8-4-7-15(2,10-18)19-3/h5-6,9,11H,4,7-8,10,17H2,1-3H3/t11-,15?/m1/s1
InChIKeyLXIQFGFILLTYON-ZRKZCGFPSA-N
XLogP3.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine
CID 107393087
1-[3-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 107393135
3-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)aniline
CID 107390476
1-[3-bromo-4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62973068
(1S)-1-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 78935877
(1S)-1-[3-bromo-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63624095
1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine
CID 62908814
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol
CID 78934473
2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol
CID 107393078
(1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935793
1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol
CID 104876734
4-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)benzenecarbothioamide
CID 107392722

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine (CID 107393114) is (1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine is COC1(C)CCCN(c2ccc([C@@H](C)N)cc2Br)C1.
What is the InChIKey of (1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is LXIQFGFILLTYON-ZRKZCGFPSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11(17)12-5-6-14(13(16)9-12)18-8-4-7-15(2,10-18)19-3/h5-6,9,11H,4,7-8,10,17H2,1-3H3/t11-,15?/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine?
(1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 327.27 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 107393114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).