3-methylsulfanyl-2-(3-phenylphenyl)propan-1-amine

C16H19NS — CID 167307567

IUPAC3-methylsulfanyl-2-(3-phenylphenyl)propan-1-amine
SMILESCSCC(CN)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H19NS/c1-18-12-16(11-17)15-9-5-8-14(10-15)13-6-3-2-4-7-13/h2-10,16H,11-12,17H2,1H3
InChIKeyFYCWOCSPUOHQAH-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.76
Rot. Bonds5

About 3-methylsulfanyl-2-(3-phenylphenyl)propan-1-amine

3-methylsulfanyl-2-(3-phenylphenyl)propan-1-amine (PubChem CID 167307567) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-methylsulfanyl-2-(3-phenylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-2-(3-phenylphenyl)propan-1-amine
PubChem CID167307567
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name3-methylsulfanyl-2-(3-phenylphenyl)propan-1-amine
SMILESCSCC(CN)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H19NS/c1-18-12-16(11-17)15-9-5-8-14(10-15)13-6-3-2-4-7-13/h2-10,16H,11-12,17H2,1H3
InChIKeyFYCWOCSPUOHQAH-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-2-(3-phenylphenyl)propan-1-amine?
The IUPAC name of 3-methylsulfanyl-2-(3-phenylphenyl)propan-1-amine (CID 167307567) is 3-methylsulfanyl-2-(3-phenylphenyl)propan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-2-(3-phenylphenyl)propan-1-amine?
The canonical SMILES for 3-methylsulfanyl-2-(3-phenylphenyl)propan-1-amine is CSCC(CN)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-methylsulfanyl-2-(3-phenylphenyl)propan-1-amine?
The InChIKey is FYCWOCSPUOHQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-18-12-16(11-17)15-9-5-8-14(10-15)13-6-3-2-4-7-13/h2-10,16H,11-12,17H2,1H3.
What are the key properties of 3-methylsulfanyl-2-(3-phenylphenyl)propan-1-amine?
3-methylsulfanyl-2-(3-phenylphenyl)propan-1-amine has a molecular weight of 257.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-2-(3-phenylphenyl)propan-1-amine is sourced from PubChem (CID 167307567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).