N-benzhydryl-2-ethylsulfanylethanamine

C17H21NS — CID 115635448

IUPACN-benzhydryl-2-ethylsulfanylethanamine
SMILESCCSCCNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NS/c1-2-19-14-13-18-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3
InChIKeyNRPJCESYJAQCFY-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.12
Rot. Bonds7

About N-benzhydryl-2-ethylsulfanylethanamine

N-benzhydryl-2-ethylsulfanylethanamine (PubChem CID 115635448) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-benzhydryl-2-ethylsulfanylethanamine.

Molecular Properties

Compound NameN-benzhydryl-2-ethylsulfanylethanamine
PubChem CID115635448
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-benzhydryl-2-ethylsulfanylethanamine
SMILESCCSCCNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NS/c1-2-19-14-13-18-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3
InChIKeyNRPJCESYJAQCFY-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
N-benzhydryldecan-1-amine
CID 57251579
N-benzhydrylethanamine;ethane
CID 142974710
N-benzhydryloctan-1-amine;hydrate
CID 173441566
N-benzhydrylhexan-1-amine;hydrate
CID 173442267
N-benzhydrylhexan-1-amine;hydrochloride
CID 173426900
N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197
N-benzhydryldecan-1-amine;hydrochloride
CID 173427301
(1S)-1-(3-chlorophenyl)-N-(2-ethylsulfanylethyl)ethanamine
CID 104863374
N-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine
CID 104531327
N-[(4-ethylphenyl)-phenylmethyl]propan-1-amine
CID 43494878
N-benzhydryl-N'-tert-butylethane-1,2-diamine
CID 107444623

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-ethylsulfanylethanamine?
The IUPAC name of N-benzhydryl-2-ethylsulfanylethanamine (CID 115635448) is N-benzhydryl-2-ethylsulfanylethanamine.
What is the SMILES notation for N-benzhydryl-2-ethylsulfanylethanamine?
The canonical SMILES for N-benzhydryl-2-ethylsulfanylethanamine is CCSCCNC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-ethylsulfanylethanamine?
The InChIKey is NRPJCESYJAQCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-2-19-14-13-18-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3.
What are the key properties of N-benzhydryl-2-ethylsulfanylethanamine?
N-benzhydryl-2-ethylsulfanylethanamine has a molecular weight of 271.43 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-ethylsulfanylethanamine is sourced from PubChem (CID 115635448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).