N,N-dimethyl-4-(4-phenylsulfanylphenyl)pentan-1-amine

C19H25NS — CID 20573008

IUPACN,N-dimethyl-4-(4-phenylsulfanylphenyl)pentan-1-amine
SMILESCC(CCCN(C)C)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C19H25NS/c1-16(8-7-15-20(2)3)17-11-13-19(14-12-17)21-18-9-5-4-6-10-18/h4-6,9-14,16H,7-8,15H2,1-3H3
InChIKeyRQEMXEWNRSIXOI-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.28
Rot. Bonds7

About N,N-dimethyl-4-(4-phenylsulfanylphenyl)pentan-1-amine

N,N-dimethyl-4-(4-phenylsulfanylphenyl)pentan-1-amine (PubChem CID 20573008) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-phenylsulfanylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-phenylsulfanylphenyl)pentan-1-amine
PubChem CID20573008
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN,N-dimethyl-4-(4-phenylsulfanylphenyl)pentan-1-amine
SMILESCC(CCCN(C)C)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C19H25NS/c1-16(8-7-15-20(2)3)17-11-13-19(14-12-17)21-18-9-5-4-6-10-18/h4-6,9-14,16H,7-8,15H2,1-3H3
InChIKeyRQEMXEWNRSIXOI-UHFFFAOYSA-N
XLogP5.28
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 ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-phenylsulfanylphenyl)pentan-1-amine?
The IUPAC name of N,N-dimethyl-4-(4-phenylsulfanylphenyl)pentan-1-amine (CID 20573008) is N,N-dimethyl-4-(4-phenylsulfanylphenyl)pentan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(4-phenylsulfanylphenyl)pentan-1-amine?
The canonical SMILES for N,N-dimethyl-4-(4-phenylsulfanylphenyl)pentan-1-amine is CC(CCCN(C)C)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-phenylsulfanylphenyl)pentan-1-amine?
The InChIKey is RQEMXEWNRSIXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-16(8-7-15-20(2)3)17-11-13-19(14-12-17)21-18-9-5-4-6-10-18/h4-6,9-14,16H,7-8,15H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(4-phenylsulfanylphenyl)pentan-1-amine?
N,N-dimethyl-4-(4-phenylsulfanylphenyl)pentan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-phenylsulfanylphenyl)pentan-1-amine is sourced from PubChem (CID 20573008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).