N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine

C23H33NS — CID 20573732

IUPACN-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine
SMILESCCNCC(C)C(c1ccccc1)c1ccc(SCCC(C)C)cc1
InChIInChI=1S/C23H33NS/c1-5-24-17-19(4)23(20-9-7-6-8-10-20)21-11-13-22(14-12-21)25-16-15-18(2)3/h6-14,18-19,23-24H,5,15-17H2,1-4H3
InChIKeyDHIVOIZASCWUNT-UHFFFAOYSA-N
MW355.59 g/mol
LogP6.20
Rot. Bonds10

About N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine

N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine (PubChem CID 20573732) has the molecular formula C23H33NS and a molecular weight of 355.59 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine
PubChem CID20573732
Molecular FormulaC23H33NS
Molecular Weight355.59 g/mol
Exact Mass355.23
IUPAC NameN-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine
SMILESCCNCC(C)C(c1ccccc1)c1ccc(SCCC(C)C)cc1
InChIInChI=1S/C23H33NS/c1-5-24-17-19(4)23(20-9-7-6-8-10-20)21-11-13-22(14-12-21)25-16-15-18(2)3/h6-14,18-19,23-24H,5,15-17H2,1-4H3
InChIKeyDHIVOIZASCWUNT-UHFFFAOYSA-N
XLogP6.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.59
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]butan-1-amine
CID 20573764
3-(ethylamino)-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]propan-1-ol
CID 20573819
N-ethyl-3-[4-(3-methylbutylsulfanyl)phenyl]butan-1-amine
CID 20573123
N-ethyl-2-(2-phenylsulfanylethyl)pentan-1-amine
CID 79228872
N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 55072043
N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine
CID 79423694
N-ethyl-3-methyl-2-phenylpentan-1-amine
CID 43163708
N-ethyl-3-phenyl-3-(4-phenylsulfanylphenyl)propan-1-amine
CID 20573835
2-phenyl-N-(2-phenylsulfanylethyl)propan-1-amine
CID 60664680
N-ethyl-4-methyl-6-phenylsulfanylhexan-2-amine
CID 79224233
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine
CID 79227368

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine (CID 20573732) is N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine is CCNCC(C)C(c1ccccc1)c1ccc(SCCC(C)C)cc1.
What is the InChIKey of N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine?
The InChIKey is DHIVOIZASCWUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NS/c1-5-24-17-19(4)23(20-9-7-6-8-10-20)21-11-13-22(14-12-21)25-16-15-18(2)3/h6-14,18-19,23-24H,5,15-17H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine?
N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine has a molecular weight of 355.59 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 20573732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).