3-(aminomethyl)-3-phenyl-5-phenylsulfanylpentan-2-ol

C18H23NOS — CID 79206883

IUPAC3-(aminomethyl)-3-phenyl-5-phenylsulfanylpentan-2-ol
SMILESCC(O)C(CN)(CCSc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NOS/c1-15(20)18(14-19,16-8-4-2-5-9-16)12-13-21-17-10-6-3-7-11-17/h2-11,15,20H,12-14,19H2,1H3
InChIKeyIVOVHKVLJJAFPB-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.45
Rot. Bonds7

About 3-(aminomethyl)-3-phenyl-5-phenylsulfanylpentan-2-ol

3-(aminomethyl)-3-phenyl-5-phenylsulfanylpentan-2-ol (PubChem CID 79206883) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 3-(aminomethyl)-3-phenyl-5-phenylsulfanylpentan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-phenyl-5-phenylsulfanylpentan-2-ol
PubChem CID79206883
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name3-(aminomethyl)-3-phenyl-5-phenylsulfanylpentan-2-ol
SMILESCC(O)C(CN)(CCSc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NOS/c1-15(20)18(14-19,16-8-4-2-5-9-16)12-13-21-17-10-6-3-7-11-17/h2-11,15,20H,12-14,19H2,1H3
InChIKeyIVOVHKVLJJAFPB-UHFFFAOYSA-N
XLogP3.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Aminoethyl)-2-phenyl-3,4-dihydrothiochromen-3-ol
CID 91183372
(2S,3S)-3-amino-4-(3,5-difluorophenyl)-1-phenylsulfanylbutan-2-ol
CID 70314040
(1S,2R)-3-amino-1-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)propan-2-ol
CID 138490012
3-Amino-1-(4-fluorophenyl)-1-(3-methylsulfanylphenyl)propan-2-ol
CID 138490013
1-Amino-2-(4-fluorophenyl)-6-thiophen-2-ylhexan-3-ol
CID 65185328
1-Amino-2-(2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol
CID 65185921
1-Amino-2-(3-fluorophenyl)-6-thiophen-2-ylhexan-3-ol
CID 65190034
3-Amino-1-(2-fluorophenyl)sulfanyl-4-phenylbutan-2-ol
CID 65529049
3-Amino-1-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-ol
CID 65529050
3-Amino-1-(2,4-difluorophenyl)sulfanyl-4-phenylbutan-2-ol
CID 65529236
3-Amino-1-(3,4-difluorophenyl)sulfanyl-4-phenylbutan-2-ol
CID 65529409
3-Amino-1-(2,5-difluorophenyl)sulfanyl-4-phenylbutan-2-ol
CID 65529411

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-phenyl-5-phenylsulfanylpentan-2-ol?
The IUPAC name of 3-(aminomethyl)-3-phenyl-5-phenylsulfanylpentan-2-ol (CID 79206883) is 3-(aminomethyl)-3-phenyl-5-phenylsulfanylpentan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-3-phenyl-5-phenylsulfanylpentan-2-ol?
The canonical SMILES for 3-(aminomethyl)-3-phenyl-5-phenylsulfanylpentan-2-ol is CC(O)C(CN)(CCSc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(aminomethyl)-3-phenyl-5-phenylsulfanylpentan-2-ol?
The InChIKey is IVOVHKVLJJAFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-15(20)18(14-19,16-8-4-2-5-9-16)12-13-21-17-10-6-3-7-11-17/h2-11,15,20H,12-14,19H2,1H3.
What are the key properties of 3-(aminomethyl)-3-phenyl-5-phenylsulfanylpentan-2-ol?
3-(aminomethyl)-3-phenyl-5-phenylsulfanylpentan-2-ol has a molecular weight of 301.46 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-phenyl-5-phenylsulfanylpentan-2-ol is sourced from PubChem (CID 79206883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).