(2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol

C22H24FNOS — CID 93163617

IUPAC(2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol
SMILESCc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)s1
InChIInChI=1S/C22H24FNOS/c1-17-7-12-22(26-17)16-24(14-19-8-10-20(23)11-9-19)15-21(25)13-18-5-3-2-4-6-18/h2-12,21,25H,13-16H2,1H3/t21-/m1/s1
InChIKeyXQSZKPBIWCDYCT-OAQYLSRUSA-N
MW369.51 g/mol
LogP4.80
Rot. Bonds8

About (2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol

(2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol (PubChem CID 93163617) has the molecular formula C22H24FNOS and a molecular weight of 369.51 g/mol. Its IUPAC name is (2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol
PubChem CID93163617
Molecular FormulaC22H24FNOS
Molecular Weight369.51 g/mol
Exact Mass369.16
IUPAC Name(2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol
SMILESCc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)s1
InChIInChI=1S/C22H24FNOS/c1-17-7-12-22(26-17)16-24(14-19-8-10-20(23)11-9-19)15-21(25)13-18-5-3-2-4-6-18/h2-12,21,25H,13-16H2,1H3/t21-/m1/s1
InChIKeyXQSZKPBIWCDYCT-OAQYLSRUSA-N
XLogP4.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol with MolForge

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Related Compounds

(2S)-1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93163380
1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol
CID 24714016
1-[1,3-benzodioxol-5-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007487
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
3-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]propanenitrile
CID 3817134
1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007797
1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007114
ethyl 2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]acetate
CID 3821334
N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide
CID 5097419
(1R)-2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol
CID 93163253
1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol
CID 112818476
1-(2-methylphenoxy)-3-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 46007466

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol?
The IUPAC name of (2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol (CID 93163617) is (2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol.
What is the SMILES notation for (2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol?
The canonical SMILES for (2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol is Cc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)s1.
What is the InChIKey of (2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol?
The InChIKey is XQSZKPBIWCDYCT-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24FNOS/c1-17-7-12-22(26-17)16-24(14-19-8-10-20(23)11-9-19)15-21(25)13-18-5-3-2-4-6-18/h2-12,21,25H,13-16H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol?
(2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol has a molecular weight of 369.51 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 93163617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).