(3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol

C17H21NOS — CID 111449945

IUPAC(3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCSc1ccc(CN[C@H](CCO)c2ccccc2)cc1
InChIInChI=1S/C17H21NOS/c1-20-16-9-7-14(8-10-16)13-18-17(11-12-19)15-5-3-2-4-6-15/h2-10,17-19H,11-13H2,1H3/t17-/m1/s1
InChIKeyFUIPCPRFXHMKKE-QGZVFWFLSA-N
MW287.43 g/mol
LogP3.62
Rot. Bonds7

About (3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol

(3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 111449945) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is (3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol
PubChem CID111449945
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name(3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCSc1ccc(CN[C@H](CCO)c2ccccc2)cc1
InChIInChI=1S/C17H21NOS/c1-20-16-9-7-14(8-10-16)13-18-17(11-12-19)15-5-3-2-4-6-15/h2-10,17-19H,11-13H2,1H3/t17-/m1/s1
InChIKeyFUIPCPRFXHMKKE-QGZVFWFLSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(4-methylsulfanylphenyl)methylamino]butan-1-ol
CID 103854632
(3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 111449962
N-benzyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 60709682
[4-[(1-phenylpentylamino)methyl]phenyl]methanol
CID 107230172
(1S,2S)-2-(benzylamino)-1-(4-methylsulfanylphenyl)propane-1,3-diol
CID 11301148
2-[(4-methylsulfanylphenyl)methylamino]propanoic acid
CID 43467247
(3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449990
(3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 111449890
4-[(1-phenylhexylamino)methyl]phenol
CID 115715711
4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide
CID 111449752
(3R)-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-3-phenylpropan-1-ol
CID 111467278
2-[(4-methylsulfanylphenyl)methylamino]butan-1-ol
CID 2979936

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol (CID 111449945) is (3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol is CSc1ccc(CN[C@H](CCO)c2ccccc2)cc1.
What is the InChIKey of (3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is FUIPCPRFXHMKKE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NOS/c1-20-16-9-7-14(8-10-16)13-18-17(11-12-19)15-5-3-2-4-6-15/h2-10,17-19H,11-13H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol?
(3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 287.43 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 111449945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).