(benzylamino)methyl-diphenyl-sulfidophosphanium

C20H20NPS — CID 177401305

IUPAC(benzylamino)methyl-diphenyl-sulfidophosphanium
SMILES[S-][P+](CNCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20NPS/c23-22(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-21-16-18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChIKeyNSGSJHAITQOHLT-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.86
Rot. Bonds6

About (benzylamino)methyl-diphenyl-sulfidophosphanium

(benzylamino)methyl-diphenyl-sulfidophosphanium (PubChem CID 177401305) has the molecular formula C20H20NPS and a molecular weight of 337.43 g/mol. Its IUPAC name is (benzylamino)methyl-diphenyl-sulfidophosphanium.

Molecular Properties

Compound Name(benzylamino)methyl-diphenyl-sulfidophosphanium
PubChem CID177401305
Molecular FormulaC20H20NPS
Molecular Weight337.43 g/mol
Exact Mass337.11
IUPAC Name(benzylamino)methyl-diphenyl-sulfidophosphanium
SMILES[S-][P+](CNCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20NPS/c23-22(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-21-16-18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChIKeyNSGSJHAITQOHLT-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
(2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine
CID 177481068
(2S)-1-(benzylamino)propan-2-ol
CID 964914
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-benzyl-2-methoxypropan-1-amine
CID 58887986
N-benzyl-3-chloro-2-methylpropan-1-amine
CID 65031724
(2S)-3-(benzylamino)-1,1,1-trichloropropan-2-ol
CID 131850472
N-benzyl-2-phenylbutan-1-amine
CID 60658494
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
2-[(benzylamino)methyl]butanamide
CID 71433052
4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride
CID 139702369

Frequently Asked Questions

What is the IUPAC name of (benzylamino)methyl-diphenyl-sulfidophosphanium?
The IUPAC name of (benzylamino)methyl-diphenyl-sulfidophosphanium (CID 177401305) is (benzylamino)methyl-diphenyl-sulfidophosphanium.
What is the SMILES notation for (benzylamino)methyl-diphenyl-sulfidophosphanium?
The canonical SMILES for (benzylamino)methyl-diphenyl-sulfidophosphanium is [S-][P+](CNCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (benzylamino)methyl-diphenyl-sulfidophosphanium?
The InChIKey is NSGSJHAITQOHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NPS/c23-22(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-21-16-18-10-4-1-5-11-18/h1-15,21H,16-17H2.
What are the key properties of (benzylamino)methyl-diphenyl-sulfidophosphanium?
(benzylamino)methyl-diphenyl-sulfidophosphanium has a molecular weight of 337.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (benzylamino)methyl-diphenyl-sulfidophosphanium is sourced from PubChem (CID 177401305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).