2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine

C15H25NS — CID 66346944

IUPAC2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCC(C)CSc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H25NS/c1-12(2)11-17-14-8-6-7-13(9-14)10-16-15(3,4)5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyNXGWONROBUEVCU-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.32
Rot. Bonds5

About 2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine

2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine (PubChem CID 66346944) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine
PubChem CID66346944
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCC(C)CSc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H25NS/c1-12(2)11-17-14-8-6-7-13(9-14)10-16-15(3,4)5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyNXGWONROBUEVCU-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(methoxymethylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
CID 66347926
2-methyl-N-[[3-[(3-methylphenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 66349089
2-methyl-N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]propan-2-amine
CID 66346953
2-methyl-N-[(3-octylsulfanylphenyl)methyl]propan-2-amine
CID 66349477
N-[[3-[(3-bromophenyl)methylsulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 66349679
N-[[3-(1-methoxypropan-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
CID 66346745
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
2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine
CID 66347139
2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 115982471

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine (CID 66346944) is 2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine is CC(C)CSc1cccc(CNC(C)(C)C)c1.
What is the InChIKey of 2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine?
The InChIKey is NXGWONROBUEVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-12(2)11-17-14-8-6-7-13(9-14)10-16-15(3,4)5/h6-9,12,16H,10-11H2,1-5H3.
What are the key properties of 2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine has a molecular weight of 251.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 66346944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).