(1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine

C19H22N2O — CID 100687819

IUPAC(1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine
SMILESC1=CO[C@H](CN[C@@H](Cc2ccccn2)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O/c1-2-8-16(9-3-1)19(14-17-10-4-6-12-20-17)21-15-18-11-5-7-13-22-18/h1-4,6-10,12-13,18-19,21H,5,11,14-15H2/t18-,19-/m0/s1
InChIKeyHCSYVPMFZHCBQS-OALUTQOASA-N
MW294.40 g/mol
LogP3.65
Rot. Bonds6

About (1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine

(1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine (PubChem CID 100687819) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine
PubChem CID100687819
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine
SMILESC1=CO[C@H](CN[C@@H](Cc2ccccn2)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O/c1-2-8-16(9-3-1)19(14-17-10-4-6-12-20-17)21-15-18-11-5-7-13-22-18/h1-4,6-10,12-13,18-19,21H,5,11,14-15H2/t18-,19-/m0/s1
InChIKeyHCSYVPMFZHCBQS-OALUTQOASA-N
XLogP3.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine (CID 100687819) is (1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine is C1=CO[C@H](CN[C@@H](Cc2ccccn2)c2ccccc2)CC1.
What is the InChIKey of (1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine?
The InChIKey is HCSYVPMFZHCBQS-OALUTQOASA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-8-16(9-3-1)19(14-17-10-4-6-12-20-17)21-15-18-11-5-7-13-22-18/h1-4,6-10,12-13,18-19,21H,5,11,14-15H2/t18-,19-/m0/s1.
What are the key properties of (1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine?
(1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine has a molecular weight of 294.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-1-phenyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 100687819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).