(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol

C18H19NOS — CID 118675509

IUPAC(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol
SMILESCNC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1cccs1
InChIInChI=1S/C18H19NOS/c1-19-12-16(18(20)17-7-4-10-21-17)15-9-8-13-5-2-3-6-14(13)11-15/h2-11,16,18-20H,12H2,1H3/t16-,18+/m0/s1
InChIKeyPKZICZJQJAOMKU-FUHWJXTLSA-N
MW297.42 g/mol
LogP3.94
Rot. Bonds5

About (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol

(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol (PubChem CID 118675509) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol
PubChem CID118675509
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol
SMILESCNC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1cccs1
InChIInChI=1S/C18H19NOS/c1-19-12-16(18(20)17-7-4-10-21-17)15-9-8-13-5-2-3-6-14(13)11-15/h2-11,16,18-20H,12H2,1H3/t16-,18+/m0/s1
InChIKeyPKZICZJQJAOMKU-FUHWJXTLSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol (CID 118675509) is (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol is CNC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1cccs1.
What is the InChIKey of (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol?
The InChIKey is PKZICZJQJAOMKU-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H19NOS/c1-19-12-16(18(20)17-7-4-10-21-17)15-9-8-13-5-2-3-6-14(13)11-15/h2-11,16,18-20H,12H2,1H3/t16-,18+/m0/s1.
What are the key properties of (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol?
(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol has a molecular weight of 297.42 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 118675509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).