2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol

C15H25NOS — CID 113246998

IUPAC2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol
SMILESCCCC(C)(O)CNC(C)c1ccc(SC)cc1
InChIInChI=1S/C15H25NOS/c1-5-10-15(3,17)11-16-12(2)13-6-8-14(18-4)9-7-13/h6-9,12,16-17H,5,10-11H2,1-4H3
InChIKeyDMQQPPNSOIZGMO-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.61
Rot. Bonds7

About 2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol

2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol (PubChem CID 113246998) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol
PubChem CID113246998
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol
SMILESCCCC(C)(O)CNC(C)c1ccc(SC)cc1
InChIInChI=1S/C15H25NOS/c1-5-10-15(3,17)11-16-12(2)13-6-8-14(18-4)9-7-13/h6-9,12,16-17H,5,10-11H2,1-4H3
InChIKeyDMQQPPNSOIZGMO-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide
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1-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpentan-2-ol
CID 103716987
4,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol
CID 103717034
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 104930502
1-[1-(4-tert-butylphenyl)ethylamino]-2-methyl-3-methylsulfanylpropan-2-ol
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1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-2-methylpentan-2-ol
CID 103783371
1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol
CID 115719475
2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol
CID 65337707
4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol
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1-(benzhydrylamino)-2-methylpentan-2-ol
CID 103948284
4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol
CID 103784299
3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine
CID 43193079

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol?
The IUPAC name of 2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol (CID 113246998) is 2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol.
What is the SMILES notation for 2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol?
The canonical SMILES for 2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol is CCCC(C)(O)CNC(C)c1ccc(SC)cc1.
What is the InChIKey of 2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol?
The InChIKey is DMQQPPNSOIZGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-10-15(3,17)11-16-12(2)13-6-8-14(18-4)9-7-13/h6-9,12,16-17H,5,10-11H2,1-4H3.
What are the key properties of 2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol?
2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol has a molecular weight of 267.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol is sourced from PubChem (CID 113246998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).