N-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine

C16H28N2OS — CID 115987764

IUPACN-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine
SMILESCSCCN(C)CCOc1ccc(CNC(C)C)cc1
InChIInChI=1S/C16H28N2OS/c1-14(2)17-13-15-5-7-16(8-6-15)19-11-9-18(3)10-12-20-4/h5-8,14,17H,9-13H2,1-4H3
InChIKeyHWMSYVUERZDWAJ-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.86
Rot. Bonds10

About N-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine

N-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 115987764) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine
PubChem CID115987764
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine
SMILESCSCCN(C)CCOc1ccc(CNC(C)C)cc1
InChIInChI=1S/C16H28N2OS/c1-14(2)17-13-15-5-7-16(8-6-15)19-11-9-18(3)10-12-20-4/h5-8,14,17H,9-13H2,1-4H3
InChIKeyHWMSYVUERZDWAJ-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine
CID 63966983
[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]boronic acid
CID 112663850
N-[[4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]propan-2-amine
CID 116614952
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine
CID 62422023
N,3-dimethyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine
CID 62463806
N-[[3-(3-methylsulfanylpropoxy)phenyl]methyl]propan-2-amine
CID 113473285
N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 106721971
N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 82007237
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine
CID 62420374
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine
CID 62424640

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine (CID 115987764) is N-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine is CSCCN(C)CCOc1ccc(CNC(C)C)cc1.
What is the InChIKey of N-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is HWMSYVUERZDWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-14(2)17-13-15-5-7-16(8-6-15)19-11-9-18(3)10-12-20-4/h5-8,14,17H,9-13H2,1-4H3.
What are the key properties of N-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine?
N-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 296.48 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 115987764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).