diphenyl(phenylsulfanyl)methanamine

C19H17NS — CID 151851017

IUPACdiphenyl(phenylsulfanyl)methanamine
SMILESNC(Sc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H,20H2
InChIKeySIRNRPKWZWUPCJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.64
Rot. Bonds4

About diphenyl(phenylsulfanyl)methanamine

diphenyl(phenylsulfanyl)methanamine (PubChem CID 151851017) has the molecular formula C19H17NS and a molecular weight of 291.42 g/mol. Its IUPAC name is diphenyl(phenylsulfanyl)methanamine.

Molecular Properties

Compound Namediphenyl(phenylsulfanyl)methanamine
PubChem CID151851017
Molecular FormulaC19H17NS
Molecular Weight291.42 g/mol
Exact Mass291.11
IUPAC Namediphenyl(phenylsulfanyl)methanamine
SMILESNC(Sc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H,20H2
InChIKeySIRNRPKWZWUPCJ-UHFFFAOYSA-N
XLogP4.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diphenylethanamine
CID 12761172
2-phenyl-2,2-bis(phenylsulfanyl)acetic acid
CID 59940318
2-amino-3-phenyl-3,3-bis(phenylsulfanyl)propanamide
CID 155306382
trifluoromethylsulfanylbenzene;hydrate
CID 174995188
2-phenyl-2-phenylsulfanylpropanal
CID 11042917
[1,2-bis(methylsulfanyl)-1,2,2-tris(phenylsulfanyl)ethyl]sulfanylbenzene
CID 22765410
magnesium;diphenylmethanediamine;hydride;hydrate
CID 174948742
phenylsulfanylbenzene;trifluoromethylbenzene
CID 171924180
(2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene
CID 12780693
1-(1,1-diphenylethylsulfanyl)-4-methylbenzene
CID 4070720
(1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene
CID 163524886
3-amino-3-phenylpentane-2,4-dione
CID 70119036

Frequently Asked Questions

What is the IUPAC name of diphenyl(phenylsulfanyl)methanamine?
The IUPAC name of diphenyl(phenylsulfanyl)methanamine (CID 151851017) is diphenyl(phenylsulfanyl)methanamine.
What is the SMILES notation for diphenyl(phenylsulfanyl)methanamine?
The canonical SMILES for diphenyl(phenylsulfanyl)methanamine is NC(Sc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl(phenylsulfanyl)methanamine?
The InChIKey is SIRNRPKWZWUPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H,20H2.
What are the key properties of diphenyl(phenylsulfanyl)methanamine?
diphenyl(phenylsulfanyl)methanamine has a molecular weight of 291.42 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(phenylsulfanyl)methanamine is sourced from PubChem (CID 151851017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).