(1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine

C15H23BrN2 — CID 104874422

IUPAC(1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CCN(c2ccc([C@@H](C)N)cc2Br)CC1C
InChIInChI=1S/C15H23BrN2/c1-10-6-7-18(9-11(10)2)15-5-4-13(12(3)17)8-14(15)16/h4-5,8,10-12H,6-7,9,17H2,1-3H3/t10?,11?,12-/m1/s1
InChIKeyYNWCRHCKAZACLA-HTAVTVPLSA-N
MW311.27 g/mol
LogP3.95
Rot. Bonds2

About (1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine

(1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 104874422) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine
PubChem CID104874422
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name(1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CCN(c2ccc([C@@H](C)N)cc2Br)CC1C
InChIInChI=1S/C15H23BrN2/c1-10-6-7-18(9-11(10)2)15-5-4-13(12(3)17)8-14(15)16/h4-5,8,10-12H,6-7,9,17H2,1-3H3/t10?,11?,12-/m1/s1
InChIKeyYNWCRHCKAZACLA-HTAVTVPLSA-N
XLogP3.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol
CID 102958923
(1S)-1-[3-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102959008
(1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935793
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol
CID 78934473
(1S)-1-[3-bromo-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63624095
(1S)-1-[3-bromo-4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 63368310
(1S)-1-[3-bromo-4-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937425
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide
CID 78936049
(1S)-1-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 78935877
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821
1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine
CID 62908814
(1S)-1-[3-bromo-4-(4-propylazepan-1-yl)phenyl]ethanamine
CID 78992773

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine (CID 104874422) is (1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine is CC1CCN(c2ccc([C@@H](C)N)cc2Br)CC1C.
What is the InChIKey of (1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is YNWCRHCKAZACLA-HTAVTVPLSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-10-6-7-18(9-11(10)2)15-5-4-13(12(3)17)8-14(15)16/h4-5,8,10-12H,6-7,9,17H2,1-3H3/t10?,11?,12-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine?
(1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 311.27 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 104874422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).