1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol

C22H24FNO2S — CID 46007797

IUPAC1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CN(Cc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C22H24FNO2S/c1-17-5-2-3-7-22(17)26-16-20(25)14-24(15-21-6-4-12-27-21)13-18-8-10-19(23)11-9-18/h2-12,20,25H,13-16H2,1H3
InChIKeyNQOKTDHUWAQBBP-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.64
Rot. Bonds9

About 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol

1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 46007797) has the molecular formula C22H24FNO2S and a molecular weight of 385.50 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID46007797
Molecular FormulaC22H24FNO2S
Molecular Weight385.50 g/mol
Exact Mass385.15
IUPAC Name1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CN(Cc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C22H24FNO2S/c1-17-5-2-3-7-22(17)26-16-20(25)14-24(15-21-6-4-12-27-21)13-18-8-10-19(23)11-9-18/h2-12,20,25H,13-16H2,1H3
InChIKeyNQOKTDHUWAQBBP-UHFFFAOYSA-N
XLogP4.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[benzyl(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164463
1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 24713399
1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007957
(2S)-1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164915
1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007941
(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163727
(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93164105
(2R)-1-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164054
1-(2-methylphenoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 24717275
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
1-[1,3-benzodioxol-5-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007487
(2R)-1-[(4-fluorophenyl)methyl-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93178138

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (CID 46007797) is 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CN(Cc1ccc(F)cc1)Cc1cccs1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is NQOKTDHUWAQBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO2S/c1-17-5-2-3-7-22(17)26-16-20(25)14-24(15-21-6-4-12-27-21)13-18-8-10-19(23)11-9-18/h2-12,20,25H,13-16H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 385.50 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 46007797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).