2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol

C15H25NOS — CID 113374023

IUPAC2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol
SMILESCCCc1ccc(C(CSC(C)CO)NC)cc1
InChIInChI=1S/C15H25NOS/c1-4-5-13-6-8-14(9-7-13)15(16-3)11-18-12(2)10-17/h6-9,12,15-17H,4-5,10-11H2,1-3H3
InChIKeyMRPJTNKAEDLRAC-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.01
Rot. Bonds8

About 2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol

2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol (PubChem CID 113374023) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol
PubChem CID113374023
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol
SMILESCCCc1ccc(C(CSC(C)CO)NC)cc1
InChIInChI=1S/C15H25NOS/c1-4-5-13-6-8-14(9-7-13)15(16-3)11-18-12(2)10-17/h6-9,12,15-17H,4-5,10-11H2,1-3H3
InChIKeyMRPJTNKAEDLRAC-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol
CID 79670946
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64613834
2-(methylamino)-2-(4-propylphenyl)ethanethiol
CID 116830608
N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650012
N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine
CID 116950451
N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 107763388
3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66102568
2-butan-2-ylsulfanyl-N-methyl-1-phenylethanamine
CID 64613225
N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
CID 43484923
2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine
CID 64614449
2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613214
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64613215

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol?
The IUPAC name of 2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol (CID 113374023) is 2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol.
What is the SMILES notation for 2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol?
The canonical SMILES for 2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol is CCCc1ccc(C(CSC(C)CO)NC)cc1.
What is the InChIKey of 2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol?
The InChIKey is MRPJTNKAEDLRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-5-13-6-8-14(9-7-13)15(16-3)11-18-12(2)10-17/h6-9,12,15-17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol?
2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol is sourced from PubChem (CID 113374023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).