1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol

C18H25NO2S — CID 24713472

IUPAC1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESCCCN(Cc1ccsc1)CC(O)COCc1ccccc1
InChIInChI=1S/C18H25NO2S/c1-2-9-19(11-17-8-10-22-15-17)12-18(20)14-21-13-16-6-4-3-5-7-16/h3-8,10,15,18,20H,2,9,11-14H2,1H3
InChIKeyUTIXGZLBUCNRJW-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.54
Rot. Bonds10

About 1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol

1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol (PubChem CID 24713472) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is 1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
PubChem CID24713472
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC Name1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESCCCN(Cc1ccsc1)CC(O)COCc1ccccc1
InChIInChI=1S/C18H25NO2S/c1-2-9-19(11-17-8-10-22-15-17)12-18(20)14-21-13-16-6-4-3-5-7-16/h3-8,10,15,18,20H,2,9,11-14H2,1H3
InChIKeyUTIXGZLBUCNRJW-UHFFFAOYSA-N
XLogP3.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[propyl(thiophen-3-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 93162562
1-prop-2-enoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 24713676
(2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 93162553
(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol
CID 93160595
(2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 93161480
1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
(2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 93162445
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162067
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93164962
(2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 93162458
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 46006806
1-phenylmethoxy-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61473661

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol (CID 24713472) is 1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol is CCCN(Cc1ccsc1)CC(O)COCc1ccccc1.
What is the InChIKey of 1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The InChIKey is UTIXGZLBUCNRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S/c1-2-9-19(11-17-8-10-22-15-17)12-18(20)14-21-13-16-6-4-3-5-7-16/h3-8,10,15,18,20H,2,9,11-14H2,1H3.
What are the key properties of 1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol?
1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol has a molecular weight of 319.47 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 24713472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).