N-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine

C15H18NPS — CID 176995036

IUPACN-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine
SMILESCSc1cccc(CNC(P)c2ccccc2)c1
InChIInChI=1S/C15H18NPS/c1-18-14-9-5-6-12(10-14)11-16-15(17)13-7-3-2-4-8-13/h2-10,15-16H,11,17H2,1H3
InChIKeyAIEATGVUFZIPJS-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.07
Rot. Bonds5

About N-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine

N-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine (PubChem CID 176995036) has the molecular formula C15H18NPS and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine.

Molecular Properties

Compound NameN-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine
PubChem CID176995036
Molecular FormulaC15H18NPS
Molecular Weight275.36 g/mol
Exact Mass275.09
IUPAC NameN-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine
SMILESCSc1cccc(CNC(P)c2ccccc2)c1
InChIInChI=1S/C15H18NPS/c1-18-14-9-5-6-12(10-14)11-16-15(17)13-7-3-2-4-8-13/h2-10,15-16H,11,17H2,1H3
InChIKeyAIEATGVUFZIPJS-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite
CID 176995257
1-benzyl-3-methylsulfanylbenzene
CID 54461240
(3-methylsulfanylphenyl)methylcarbamic acid
CID 69246192
N-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine
CID 176994926
2-[(benzylamino)-(3-methylsulfanylphenyl)methyl]-3-methylinden-1-one
CID 144553223
1-ethyl-3-methylsulfanylbenzene
CID 14944133
N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine
CID 66349042
O-[(3-methylsulfanylphenyl)methyl]hydroxylamine
CID 117276756
N-[(3-methoxyphenyl)methyl]-1-phosphanyl-1-pyridin-3-ylmethanamine
CID 176995140
N-benzyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 60709682
N-[[3-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 66346908
(2R)-2-methoxy-N-(3-methylsulfanylphenyl)-2-phenylacetamide
CID 124616033

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine?
The IUPAC name of N-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine (CID 176995036) is N-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine.
What is the SMILES notation for N-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine?
The canonical SMILES for N-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine is CSc1cccc(CNC(P)c2ccccc2)c1.
What is the InChIKey of N-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine?
The InChIKey is AIEATGVUFZIPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NPS/c1-18-14-9-5-6-12(10-14)11-16-15(17)13-7-3-2-4-8-13/h2-10,15-16H,11,17H2,1H3.
What are the key properties of N-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine?
N-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine has a molecular weight of 275.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine is sourced from PubChem (CID 176995036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).