N-methyl-N-[1-(4-methylsulfanylphenyl)-2-phenylethyl]propan-1-amine

C19H25NS — CID 135013399

IUPACN-methyl-N-[1-(4-methylsulfanylphenyl)-2-phenylethyl]propan-1-amine
SMILESCCCN(C)C(Cc1ccccc1)c1ccc(SC)cc1
InChIInChI=1S/C19H25NS/c1-4-14-20(2)19(15-16-8-6-5-7-9-16)17-10-12-18(21-3)13-11-17/h5-13,19H,4,14-15H2,1-3H3
InChIKeyWTZXCUPCLIMQOI-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.03
Rot. Bonds7

About N-methyl-N-[1-(4-methylsulfanylphenyl)-2-phenylethyl]propan-1-amine

N-methyl-N-[1-(4-methylsulfanylphenyl)-2-phenylethyl]propan-1-amine (PubChem CID 135013399) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylsulfanylphenyl)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylsulfanylphenyl)-2-phenylethyl]propan-1-amine
PubChem CID135013399
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-methyl-N-[1-(4-methylsulfanylphenyl)-2-phenylethyl]propan-1-amine
SMILESCCCN(C)C(Cc1ccccc1)c1ccc(SC)cc1
InChIInChI=1S/C19H25NS/c1-4-14-20(2)19(15-16-8-6-5-7-9-16)17-10-12-18(21-3)13-11-17/h5-13,19H,4,14-15H2,1-3H3
InChIKeyWTZXCUPCLIMQOI-UHFFFAOYSA-N
XLogP5.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylsulfanylphenyl)-2-phenylethyl]propan-1-amine?
The IUPAC name of N-methyl-N-[1-(4-methylsulfanylphenyl)-2-phenylethyl]propan-1-amine (CID 135013399) is N-methyl-N-[1-(4-methylsulfanylphenyl)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[1-(4-methylsulfanylphenyl)-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[1-(4-methylsulfanylphenyl)-2-phenylethyl]propan-1-amine is CCCN(C)C(Cc1ccccc1)c1ccc(SC)cc1.
What is the InChIKey of N-methyl-N-[1-(4-methylsulfanylphenyl)-2-phenylethyl]propan-1-amine?
The InChIKey is WTZXCUPCLIMQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-4-14-20(2)19(15-16-8-6-5-7-9-16)17-10-12-18(21-3)13-11-17/h5-13,19H,4,14-15H2,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methylsulfanylphenyl)-2-phenylethyl]propan-1-amine?
N-methyl-N-[1-(4-methylsulfanylphenyl)-2-phenylethyl]propan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylsulfanylphenyl)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 135013399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).