(2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine

C15H18ClN3O — CID 97103398

IUPAC(2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine
SMILESCO[C@@H](CN[C@H](C)c1cnccn1)c1ccccc1Cl
InChIInChI=1S/C15H18ClN3O/c1-11(14-9-17-7-8-18-14)19-10-15(20-2)12-5-3-4-6-13(12)16/h3-9,11,15,19H,10H2,1-2H3/t11-,15+/m1/s1
InChIKeySHBUYXHLAYKVGB-ABAIWWIYSA-N
MW291.78 g/mol
LogP3.17
Rot. Bonds6

About (2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine

(2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine (PubChem CID 97103398) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine
PubChem CID97103398
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name(2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine
SMILESCO[C@@H](CN[C@H](C)c1cnccn1)c1ccccc1Cl
InChIInChI=1S/C15H18ClN3O/c1-11(14-9-17-7-8-18-14)19-10-15(20-2)12-5-3-4-6-13(12)16/h3-9,11,15,19H,10H2,1-2H3/t11-,15+/m1/s1
InChIKeySHBUYXHLAYKVGB-ABAIWWIYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
CID 62107818
(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81377262
1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
CID 103787955
3-(2-chlorophenyl)-3-methoxypropan-1-ol
CID 105453227
5-[[2-(2-chlorophenyl)-2-methoxyethyl]amino]pyrazine-2-carbonitrile
CID 133492768
1-(1-pyrazin-2-ylethylamino)pentan-2-ol
CID 115719323
3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol
CID 103783040
1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
CID 115712106
(1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81379851
N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 64713471
N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine
CID 103777713
N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 107102363

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine (CID 97103398) is (2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine is CO[C@@H](CN[C@H](C)c1cnccn1)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine?
The InChIKey is SHBUYXHLAYKVGB-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11(14-9-17-7-8-18-14)19-10-15(20-2)12-5-3-4-6-13(12)16/h3-9,11,15,19H,10H2,1-2H3/t11-,15+/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine?
(2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine has a molecular weight of 291.78 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine is sourced from PubChem (CID 97103398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).