N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine

C18H23NOS — CID 64652573

IUPACN-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine
SMILESCCCS(=O)CC(NC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NOS/c1-3-13-21(20)14-18(19-2)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,18-19H,3,13-14H2,1-2H3
InChIKeyFDAZGNPNCSKGTO-UHFFFAOYSA-N
MW301.45 g/mol
LogP3.77
Rot. Bonds7

About N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine

N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine (PubChem CID 64652573) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine
PubChem CID64652573
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC NameN-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine
SMILESCCCS(=O)CC(NC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NOS/c1-3-13-21(20)14-18(19-2)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,18-19H,3,13-14H2,1-2H3
InChIKeyFDAZGNPNCSKGTO-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine?
The IUPAC name of N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine (CID 64652573) is N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine.
What is the SMILES notation for N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine?
The canonical SMILES for N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine is CCCS(=O)CC(NC)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine?
The InChIKey is FDAZGNPNCSKGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-3-13-21(20)14-18(19-2)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,18-19H,3,13-14H2,1-2H3.
What are the key properties of N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine?
N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine has a molecular weight of 301.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine is sourced from PubChem (CID 64652573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).