(2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol

C18H25NO2S — CID 93162445

IUPAC(2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
SMILESCC(C)CN(Cc1ccsc1)C[C@@H](O)COc1ccccc1
InChIInChI=1S/C18H25NO2S/c1-15(2)10-19(11-16-8-9-22-14-16)12-17(20)13-21-18-6-4-3-5-7-18/h3-9,14-15,17,20H,10-13H2,1-2H3/t17-/m1/s1
InChIKeySCDBDLUOOGFMNO-QGZVFWFLSA-N
MW319.47 g/mol
LogP3.65
Rot. Bonds9

About (2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol

(2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol (PubChem CID 93162445) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is (2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
PubChem CID93162445
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC Name(2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
SMILESCC(C)CN(Cc1ccsc1)C[C@@H](O)COc1ccccc1
InChIInChI=1S/C18H25NO2S/c1-15(2)10-19(11-16-8-9-22-14-16)12-17(20)13-21-18-6-4-3-5-7-18/h3-9,14-15,17,20H,10-13H2,1-2H3/t17-/m1/s1
InChIKeySCDBDLUOOGFMNO-QGZVFWFLSA-N
XLogP3.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenoxy)-3-[2-methylpropyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 46007278
1-[butan-2-yl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 42682271
(2S)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 93160526
(2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 93162458
(2S)-1-[benzyl(2-methylpropyl)amino]-3-(4-chlorophenoxy)propan-2-ol
CID 93161416
(2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 93147229
1-[2-methylpropyl(thiophen-3-ylmethyl)amino]hex-5-en-2-ol
CID 42682268
1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 24713472
(2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 95285904
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
1-(4-chlorophenoxy)-3-[(3-methoxyphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 42682308
(2R)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93163124

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol (CID 93162445) is (2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol is CC(C)CN(Cc1ccsc1)C[C@@H](O)COc1ccccc1.
What is the InChIKey of (2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol?
The InChIKey is SCDBDLUOOGFMNO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25NO2S/c1-15(2)10-19(11-16-8-9-22-14-16)12-17(20)13-21-18-6-4-3-5-7-18/h3-9,14-15,17,20H,10-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol?
(2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol has a molecular weight of 319.47 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 93162445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).