1-[[2-[2-(hydroxymethyl)thiophen-3-yl]phenyl]methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol

C26H27NO3S — CID 174479346

IUPAC1-[[2-[2-(hydroxymethyl)thiophen-3-yl]phenyl]methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol
SMILESCN(Cc1ccccc1-c1ccsc1CO)CC(O)COc1cccc2ccccc12
InChIInChI=1S/C26H27NO3S/c1-27(15-20-8-3-4-10-22(20)24-13-14-31-26(24)17-28)16-21(29)18-30-25-12-6-9-19-7-2-5-11-23(19)25/h2-14,21,28-29H,15-18H2,1H3
InChIKeyFCSZHOJSCBATJS-UHFFFAOYSA-N
MW433.57 g/mol
LogP4.93
Rot. Bonds9

About 1-[[2-[2-(hydroxymethyl)thiophen-3-yl]phenyl]methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol

1-[[2-[2-(hydroxymethyl)thiophen-3-yl]phenyl]methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 174479346) has the molecular formula C26H27NO3S and a molecular weight of 433.57 g/mol. Its IUPAC name is 1-[[2-[2-(hydroxymethyl)thiophen-3-yl]phenyl]methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[[2-[2-(hydroxymethyl)thiophen-3-yl]phenyl]methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol
PubChem CID174479346
Molecular FormulaC26H27NO3S
Molecular Weight433.57 g/mol
Exact Mass433.17
IUPAC Name1-[[2-[2-(hydroxymethyl)thiophen-3-yl]phenyl]methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol
SMILESCN(Cc1ccccc1-c1ccsc1CO)CC(O)COc1cccc2ccccc12
InChIInChI=1S/C26H27NO3S/c1-27(15-20-8-3-4-10-22(20)24-13-14-31-26(24)17-28)16-21(29)18-30-25-12-6-9-19-7-2-5-11-23(19)25/h2-14,21,28-29H,15-18H2,1H3
InChIKeyFCSZHOJSCBATJS-UHFFFAOYSA-N
XLogP4.93
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-[2-(hydroxymethyl)thiophen-3-yl]phenyl]methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol with MolForge

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Related Compounds

2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)-methylamino]acetonitrile
CID 110929665
1-[1,1,1,2,3,3,3-heptadeuteriopropan-2-yl-(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 162641225
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol
CID 138959459
(2R)-1-[(2,3-dimethoxyphenyl)methyl-methylamino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 31085223
1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45210215
1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 17471423
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-naphthalen-1-yloxyundecan-2-ol
CID 2793899
9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate
CID 18680042
but-3-en-2-one;3-naphthalen-1-yloxypropane-1,2-diol
CID 21238595
2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylamino]acetonitrile
CID 110929469

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(hydroxymethyl)thiophen-3-yl]phenyl]methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-[[2-[2-(hydroxymethyl)thiophen-3-yl]phenyl]methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol (CID 174479346) is 1-[[2-[2-(hydroxymethyl)thiophen-3-yl]phenyl]methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-[[2-[2-(hydroxymethyl)thiophen-3-yl]phenyl]methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-[[2-[2-(hydroxymethyl)thiophen-3-yl]phenyl]methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol is CN(Cc1ccccc1-c1ccsc1CO)CC(O)COc1cccc2ccccc12.
What is the InChIKey of 1-[[2-[2-(hydroxymethyl)thiophen-3-yl]phenyl]methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is FCSZHOJSCBATJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3S/c1-27(15-20-8-3-4-10-22(20)24-13-14-31-26(24)17-28)16-21(29)18-30-25-12-6-9-19-7-2-5-11-23(19)25/h2-14,21,28-29H,15-18H2,1H3.
What are the key properties of 1-[[2-[2-(hydroxymethyl)thiophen-3-yl]phenyl]methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol?
1-[[2-[2-(hydroxymethyl)thiophen-3-yl]phenyl]methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 433.57 g/mol, XLogP of 4.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(hydroxymethyl)thiophen-3-yl]phenyl]methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 174479346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).