(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol

C18H23NOS — CID 134420039

IUPAC(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol
SMILESCNC[C@@H](c1ccc2ccccc2c1)[C@@H](O)C1CCCS1
InChIInChI=1S/C18H23NOS/c1-19-12-16(18(20)17-7-4-10-21-17)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11,16-20H,4,7,10,12H2,1H3/t16-,17?,18+/m0/s1
InChIKeyXTPLKMGSVYQZDV-PXKIYYGHSA-N
MW301.45 g/mol
LogP3.40
Rot. Bonds5

About (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol

(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol (PubChem CID 134420039) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol
PubChem CID134420039
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol
SMILESCNC[C@@H](c1ccc2ccccc2c1)[C@@H](O)C1CCCS1
InChIInChI=1S/C18H23NOS/c1-19-12-16(18(20)17-7-4-10-21-17)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11,16-20H,4,7,10,12H2,1H3/t16-,17?,18+/m0/s1
InChIKeyXTPLKMGSVYQZDV-PXKIYYGHSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride
CID 45262335
trans-(1R,2S)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol
CID 58954977
trans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol
CID 58954979
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol
CID 86288599
(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-thiophen-2-ylpropan-1-ol
CID 118675509
N-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine
CID 27102
(2R,3R)-1-Amino-4,4-dimethyl-2-naphthalen-2-yl-pentan-3-ol; hydrochloride
CID 10083812
1-Amino-4-methyl-2-naphthalen-2-ylpentan-3-ol
CID 9834702
4,4-Dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol
CID 9900140
1-(Dimethylamino)-4-methyl-2-naphthalen-2-ylpentan-3-ol
CID 9943391
(2S,3S)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol
CID 10244734
1-Amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol
CID 18784209

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol?
The IUPAC name of (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol (CID 134420039) is (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol.
What is the SMILES notation for (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol?
The canonical SMILES for (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-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-(thiolan-2-yl)propan-1-ol?
The InChIKey is XTPLKMGSVYQZDV-PXKIYYGHSA-N. The full InChI is InChI=1S/C18H23NOS/c1-19-12-16(18(20)17-7-4-10-21-17)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11,16-20H,4,7,10,12H2,1H3/t16-,17?,18+/m0/s1.
What are the key properties of (1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol?
(1R,2R)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol has a molecular weight of 301.45 g/mol, XLogP of 3.40, 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-(thiolan-2-yl)propan-1-ol is sourced from PubChem (CID 134420039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).