(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol

C19H20N2O — CID 86288675

IUPAC(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@H](O)c1cccnc1
InChIInChI=1S/C19H20N2O/c1-20-13-18(19(22)17-7-4-10-21-12-17)16-9-8-14-5-2-3-6-15(14)11-16/h2-12,18-20,22H,13H2,1H3/t18-,19-/m1/s1
InChIKeyQPWOFDKUJWRZFQ-RTBURBONSA-N
MW292.38 g/mol
LogP3.27
Rot. Bonds5

About (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol

(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol (PubChem CID 86288675) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol
PubChem CID86288675
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@H](O)c1cccnc1
InChIInChI=1S/C19H20N2O/c1-20-13-18(19(22)17-7-4-10-21-12-17)16-9-8-14-5-2-3-6-15(14)11-16/h2-12,18-20,22H,13H2,1H3/t18-,19-/m1/s1
InChIKeyQPWOFDKUJWRZFQ-RTBURBONSA-N
XLogP3.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol?
The IUPAC name of (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol (CID 86288675) is (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol?
The canonical SMILES for (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol is CNC[C@H](c1ccc2ccccc2c1)[C@H](O)c1cccnc1.
What is the InChIKey of (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol?
The InChIKey is QPWOFDKUJWRZFQ-RTBURBONSA-N. The full InChI is InChI=1S/C19H20N2O/c1-20-13-18(19(22)17-7-4-10-21-12-17)16-9-8-14-5-2-3-6-15(14)11-16/h2-12,18-20,22H,13H2,1H3/t18-,19-/m1/s1.
What are the key properties of (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol?
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol has a molecular weight of 292.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 86288675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).