(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine

C15H23BrN2 — CID 81379189

IUPAC(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
SMILESC[C@@H](NCC1CCCN(C)C1)c1ccccc1Br
InChIInChI=1S/C15H23BrN2/c1-12(14-7-3-4-8-15(14)16)17-10-13-6-5-9-18(2)11-13/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3/t12-,13?/m1/s1
InChIKeyZNIAHBVCPQTWKL-PZORYLMUSA-N
MW311.27 g/mol
LogP3.44
Rot. Bonds4

About (1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine

(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine (PubChem CID 81379189) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
PubChem CID81379189
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
SMILESC[C@@H](NCC1CCCN(C)C1)c1ccccc1Br
InChIInChI=1S/C15H23BrN2/c1-12(14-7-3-4-8-15(14)16)17-10-13-6-5-9-18(2)11-13/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3/t12-,13?/m1/s1
InChIKeyZNIAHBVCPQTWKL-PZORYLMUSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
(1R)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383657
(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383986
1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 113437537
1-(2-bromophenyl)-N-(thian-3-ylmethyl)ethanamine
CID 114282776
1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 54927501
(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81378377
1-(2-bromophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625440
4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 114146962
(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81383485
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81403787

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine (CID 81379189) is (1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine is C[C@@H](NCC1CCCN(C)C1)c1ccccc1Br.
What is the InChIKey of (1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is ZNIAHBVCPQTWKL-PZORYLMUSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-12(14-7-3-4-8-15(14)16)17-10-13-6-5-9-18(2)11-13/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of (1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine has a molecular weight of 311.27 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 81379189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).