N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine

C19H25NS — CID 79423694

IUPACN-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine
SMILESCCNCC(CCSc1ccccc1)c1ccccc1C
InChIInChI=1S/C19H25NS/c1-3-20-15-17(19-12-8-7-9-16(19)2)13-14-21-18-10-5-4-6-11-18/h4-12,17,20H,3,13-15H2,1-2H3
InChIKeyMZSIPYSFHWMGBD-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.87
Rot. Bonds8

About N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine

N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine (PubChem CID 79423694) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine
PubChem CID79423694
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine
SMILESCCNCC(CCSc1ccccc1)c1ccccc1C
InChIInChI=1S/C19H25NS/c1-3-20-15-17(19-12-8-7-9-16(19)2)13-14-21-18-10-5-4-6-11-18/h4-12,17,20H,3,13-15H2,1-2H3
InChIKeyMZSIPYSFHWMGBD-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-methylphenyl)hexan-1-amine
CID 79421796
N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine
CID 79228872
N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine
CID 79421716
N,4-diethyl-2-(2-methylphenyl)hexan-1-amine
CID 82929523
3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 79423679
3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 114933691
N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421243
4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 79421089
2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79421507
4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421267
N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine
CID 20573732
N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423700

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine?
The IUPAC name of N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine (CID 79423694) is N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine?
The canonical SMILES for N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine is CCNCC(CCSc1ccccc1)c1ccccc1C.
What is the InChIKey of N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine?
The InChIKey is MZSIPYSFHWMGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-3-20-15-17(19-12-8-7-9-16(19)2)13-14-21-18-10-5-4-6-11-18/h4-12,17,20H,3,13-15H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine?
N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine is sourced from PubChem (CID 79423694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).