(1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine

C13H14N2 — CID 162640474

IUPAC(1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine
SMILES[2H]c1c([2H])c([2H])c([C@@H](N)Cc2ccccn2)c([2H])c1[2H]
InChIInChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2/t13-/m0/s1/i1D,2D,3D,6D,7D
InChIKeyFWUQWDCOOWEXRY-LSFNQILDSA-N
MW203.30 g/mol
LogP2.32
Rot. Bonds3

About (1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine

(1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine (PubChem CID 162640474) has the molecular formula C13H14N2 and a molecular weight of 203.30 g/mol. Its IUPAC name is (1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine
PubChem CID162640474
Molecular FormulaC13H14N2
Molecular Weight203.30 g/mol
Exact Mass203.15
IUPAC Name(1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine
SMILES[2H]c1c([2H])c([2H])c([C@@H](N)Cc2ccccn2)c([2H])c1[2H]
InChIInChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2/t13-/m0/s1/i1D,2D,3D,6D,7D
InChIKeyFWUQWDCOOWEXRY-LSFNQILDSA-N
XLogP2.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-pyridin-2-yl-1-pyridin-3-ylethanamine
CID 93256959
1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine
CID 105158058
1-(3-fluoro-5-methylphenyl)-2-pyridin-2-ylethanamine
CID 79703275
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
1-(3-fluoro-4-methylphenyl)-2-pyridin-2-ylethanamine
CID 43118868
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanamine
CID 63744022
1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine
CID 19973560
1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
1-(3-propoxyphenyl)-2-pyridin-2-ylethanamine
CID 55131965
1-phenyl-2-pyrimidin-2-ylethanamine
CID 63196621
2-amino-3-pyridin-2-ylpropanal
CID 22556784
2-amino-3-pyridin-2-ylpropan-1-ol;hydrochloride
CID 75525879

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine?
The IUPAC name of (1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine (CID 162640474) is (1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine is [2H]c1c([2H])c([2H])c([C@@H](N)Cc2ccccn2)c([2H])c1[2H].
What is the InChIKey of (1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine?
The InChIKey is FWUQWDCOOWEXRY-LSFNQILDSA-N. The full InChI is InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2/t13-/m0/s1/i1D,2D,3D,6D,7D.
What are the key properties of (1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine?
(1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine has a molecular weight of 203.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 162640474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).