N-[[3-(1-methoxypropan-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine

C15H25NOS — CID 66346745

IUPACN-[[3-(1-methoxypropan-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOCC(C)Sc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H25NOS/c1-12(11-17-5)18-14-8-6-7-13(9-14)10-16-15(2,3)4/h6-9,12,16H,10-11H2,1-5H3
InChIKeyQRMHHIUWKOYRQX-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.70
Rot. Bonds6

About N-[[3-(1-methoxypropan-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine

N-[[3-(1-methoxypropan-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 66346745) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[3-(1-methoxypropan-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(1-methoxypropan-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID66346745
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[[3-(1-methoxypropan-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOCC(C)Sc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H25NOS/c1-12(11-17-5)18-14-8-6-7-13(9-14)10-16-15(2,3)4/h6-9,12,16H,10-11H2,1-5H3
InChIKeyQRMHHIUWKOYRQX-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(methoxymethylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
CID 66347926
2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine
CID 66346944
N-[[3-(3,3-dimethylbutylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
CID 66347136
N-[[3-(2-fluoroethylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
CID 80694834
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
2-methyl-N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]propan-2-amine
CID 66346953
2-[3-[(tert-butylamino)methyl]phenyl]sulfanylpentanoic acid
CID 83047078
2-methyl-N-[(3-octylsulfanylphenyl)methyl]propan-2-amine
CID 66349477
2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62444557
2-methyl-N-[[3-[(3-methylphenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 66349089
2-methyl-N-[(3-pent-4-ynylsulfanylphenyl)methyl]propan-2-amine
CID 113374664
4-[3-[(tert-butylamino)methyl]phenyl]sulfanyl-2,2-dimethylbutanenitrile
CID 66349283

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methoxypropan-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(1-methoxypropan-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine (CID 66346745) is N-[[3-(1-methoxypropan-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(1-methoxypropan-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(1-methoxypropan-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine is COCC(C)Sc1cccc(CNC(C)(C)C)c1.
What is the InChIKey of N-[[3-(1-methoxypropan-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is QRMHHIUWKOYRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12(11-17-5)18-14-8-6-7-13(9-14)10-16-15(2,3)4/h6-9,12,16H,10-11H2,1-5H3.
What are the key properties of N-[[3-(1-methoxypropan-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-(1-methoxypropan-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methoxypropan-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66346745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).