1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol

C19H27NO2S — CID 24713497

IUPAC1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(CN(Cc2ccccc2)CC(O)COC(C)C)s1
InChIInChI=1S/C19H27NO2S/c1-15(2)22-14-18(21)12-20(11-17-7-5-4-6-8-17)13-19-10-9-16(3)23-19/h4-10,15,18,21H,11-14H2,1-3H3
InChIKeyDUWZACBBYGCOMR-UHFFFAOYSA-N
MW333.50 g/mol
LogP3.84
Rot. Bonds9

About 1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol

1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 24713497) has the molecular formula C19H27NO2S and a molecular weight of 333.50 g/mol. Its IUPAC name is 1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
PubChem CID24713497
Molecular FormulaC19H27NO2S
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Name1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(CN(Cc2ccccc2)CC(O)COC(C)C)s1
InChIInChI=1S/C19H27NO2S/c1-15(2)22-14-18(21)12-20(11-17-7-5-4-6-8-17)13-19-10-9-16(3)23-19/h4-10,15,18,21H,11-14H2,1-3H3
InChIKeyDUWZACBBYGCOMR-UHFFFAOYSA-N
XLogP3.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol with MolForge

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Related Compounds

N-(tert-butylperoxymethyl)-1-phenyl-N-(thiophen-2-ylmethyl)methanamine
CID 44312355
2-[Benzyl(3-thienylmethyl)amino]ethanol
CID 23910978
2-[Benzyl(thiophen-2-ylmethyl)amino]ethanol
CID 782513
3-[(3,4-Difluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 16677893
3-[(2,3-Difluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 16677894
3-[(2,5-Difluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 16677902
1-[(4-Fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 24713200
1-[(4-Fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 24713475
1-[(4-Fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 24713508
1-[(4-Fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 24713509
1-[(4-Fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 24713721
1-[Butan-2-yl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 42682356

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol (CID 24713497) is 1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol is Cc1ccc(CN(Cc2ccccc2)CC(O)COC(C)C)s1.
What is the InChIKey of 1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is DUWZACBBYGCOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2S/c1-15(2)22-14-18(21)12-20(11-17-7-5-4-6-8-17)13-19-10-9-16(3)23-19/h4-10,15,18,21H,11-14H2,1-3H3.
What are the key properties of 1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 333.50 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 24713497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).