(1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine

C15H17BrN2 — CID 81375023

IUPAC(1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@H](C)NCc1ccc(Br)cn1
InChIInChI=1S/C15H17BrN2/c1-11-5-3-4-6-15(11)12(2)17-10-14-8-7-13(16)9-18-14/h3-9,12,17H,10H2,1-2H3/t12-/m0/s1
InChIKeyUURDSOHEOUQMPY-LBPRGKRZSA-N
MW305.22 g/mol
LogP4.00
Rot. Bonds4

About (1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine

(1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 81375023) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is (1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID81375023
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name(1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@H](C)NCc1ccc(Br)cn1
InChIInChI=1S/C15H17BrN2/c1-11-5-3-4-6-15(11)12(2)17-10-14-8-7-13(16)9-18-14/h3-9,12,17H,10H2,1-2H3/t12-/m0/s1
InChIKeyUURDSOHEOUQMPY-LBPRGKRZSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364243
(1R)-1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]ethanamine
CID 81381332
(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81363891
(1R)-1-(2-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 81375119
(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81375362
(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81375507
1-(2-fluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708851
N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine
CID 63490336
1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708293
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375118
(1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81375259
N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 43085346

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine (CID 81375023) is (1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1[C@H](C)NCc1ccc(Br)cn1.
What is the InChIKey of (1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is UURDSOHEOUQMPY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11-5-3-4-6-15(11)12(2)17-10-14-8-7-13(16)9-18-14/h3-9,12,17H,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine?
(1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 305.22 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 81375023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).