3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethyl-3-phenylpropan-1-amine

C24H33NS — CID 20573091

IUPAC3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethyl-3-phenylpropan-1-amine
SMILESCC(CN(C)C)C(c1ccccc1)c1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C24H33NS/c1-19(18-25(2)3)24(20-10-6-4-7-11-20)21-14-16-23(17-15-21)26-22-12-8-5-9-13-22/h4,6-7,10-11,14-17,19,22,24H,5,8-9,12-13,18H2,1-3H3
InChIKeyHVZCYYIISXRKJH-UHFFFAOYSA-N
MW367.60 g/mol
LogP6.44
Rot. Bonds7

About 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethyl-3-phenylpropan-1-amine

3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethyl-3-phenylpropan-1-amine (PubChem CID 20573091) has the molecular formula C24H33NS and a molecular weight of 367.60 g/mol. Its IUPAC name is 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethyl-3-phenylpropan-1-amine
PubChem CID20573091
Molecular FormulaC24H33NS
Molecular Weight367.60 g/mol
Exact Mass367.23
IUPAC Name3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethyl-3-phenylpropan-1-amine
SMILESCC(CN(C)C)C(c1ccccc1)c1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C24H33NS/c1-19(18-25(2)3)24(20-10-6-4-7-11-20)21-14-16-23(17-15-21)26-22-12-8-5-9-13-22/h4,6-7,10-11,14-17,19,22,24H,5,8-9,12-13,18H2,1-3H3
InChIKeyHVZCYYIISXRKJH-UHFFFAOYSA-N
XLogP6.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.60
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethyl-3-phenylpropan-1-amine?
The IUPAC name of 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethyl-3-phenylpropan-1-amine (CID 20573091) is 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethyl-3-phenylpropan-1-amine is CC(CN(C)C)C(c1ccccc1)c1ccc(SC2CCCCC2)cc1.
What is the InChIKey of 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethyl-3-phenylpropan-1-amine?
The InChIKey is HVZCYYIISXRKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NS/c1-19(18-25(2)3)24(20-10-6-4-7-11-20)21-14-16-23(17-15-21)26-22-12-8-5-9-13-22/h4,6-7,10-11,14-17,19,22,24H,5,8-9,12-13,18H2,1-3H3.
What are the key properties of 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethyl-3-phenylpropan-1-amine?
3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethyl-3-phenylpropan-1-amine has a molecular weight of 367.60 g/mol, XLogP of 6.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethyl-3-phenylpropan-1-amine is sourced from PubChem (CID 20573091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).