N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine

C17H30N2OS — CID 115987871

IUPACN-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine
SMILESCSCC(C)N(C)CCOc1ccccc1CNC(C)C
InChIInChI=1S/C17H30N2OS/c1-14(2)18-12-16-8-6-7-9-17(16)20-11-10-19(4)15(3)13-21-5/h6-9,14-15,18H,10-13H2,1-5H3
InChIKeyYMRBXJYLPCVZKO-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.25
Rot. Bonds10

About N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine

N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine (PubChem CID 115987871) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine
PubChem CID115987871
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine
SMILESCSCC(C)N(C)CCOc1ccccc1CNC(C)C
InChIInChI=1S/C17H30N2OS/c1-14(2)18-12-16-8-6-7-9-17(16)20-11-10-19(4)15(3)13-21-5/h6-9,14-15,18H,10-13H2,1-5H3
InChIKeyYMRBXJYLPCVZKO-UHFFFAOYSA-N
XLogP3.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine
CID 62433074
N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine
CID 62463446
2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide
CID 115988023
N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62418765
N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine
CID 62442654
N-[[2-[2-(2-propan-2-yloxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455414
N-[[2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-2-amine
CID 55160594
N-[[2-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 82007247
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[2-[(4-ethylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63500787
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 60892832
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 54850060

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine?
The IUPAC name of N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine (CID 115987871) is N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine?
The canonical SMILES for N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine is CSCC(C)N(C)CCOc1ccccc1CNC(C)C.
What is the InChIKey of N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine?
The InChIKey is YMRBXJYLPCVZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-14(2)18-12-16-8-6-7-9-17(16)20-11-10-19(4)15(3)13-21-5/h6-9,14-15,18H,10-13H2,1-5H3.
What are the key properties of N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine?
N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine has a molecular weight of 310.51 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine is sourced from PubChem (CID 115987871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).