N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine

C19H25NS — CID 56610274

IUPACN-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine
SMILESCCCCN(CCSc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25NS/c1-2-3-14-20(17-18-10-6-4-7-11-18)15-16-21-19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3
InChIKeyJHLASHIOOYIMCB-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.08
Rot. Bonds9

About N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine

N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine (PubChem CID 56610274) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine
PubChem CID56610274
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine
SMILESCCCCN(CCSc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25NS/c1-2-3-14-20(17-18-10-6-4-7-11-18)15-16-21-19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3
InChIKeyJHLASHIOOYIMCB-UHFFFAOYSA-N
XLogP5.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-N-(2-phenylsulfanylethyl)butan-1-amine
CID 80673627
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
4-[[2-phenylsulfanylethyl(propyl)amino]methyl]aniline
CID 79227841
N-benzyl-N-propylhexan-1-amine
CID 123983090
N,N-dibenzyldodecan-1-amine
CID 11508874
N-benzyl-N-butyl-3-methylbutan-1-amine
CID 21355603
N-benzyl-N-(2-bromoethyl)pentan-1-amine
CID 80679687
N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine
CID 15762909
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104
N-benzyl-3-bromo-N-(3-bromopropyl)propan-1-amine
CID 23242798

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine?
The IUPAC name of N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine (CID 56610274) is N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine.
What is the SMILES notation for N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine?
The canonical SMILES for N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine is CCCCN(CCSc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine?
The InChIKey is JHLASHIOOYIMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-2-3-14-20(17-18-10-6-4-7-11-18)15-16-21-19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3.
What are the key properties of N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine?
N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-phenylsulfanylethyl)butan-1-amine is sourced from PubChem (CID 56610274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).