4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine

C18H31NOS — CID 65446675

IUPAC4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccc(OC)cc1)CSCC(C)C
InChIInChI=1S/C18H31NOS/c1-5-12-19-17(14-21-13-15(2)3)9-6-16-7-10-18(20-4)11-8-16/h7-8,10-11,15,17,19H,5-6,9,12-14H2,1-4H3
InChIKeyRGEWLISCKWVKKG-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.39
Rot. Bonds11

About 4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine

4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine (PubChem CID 65446675) has the molecular formula C18H31NOS and a molecular weight of 309.52 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine
PubChem CID65446675
Molecular FormulaC18H31NOS
Molecular Weight309.52 g/mol
Exact Mass309.21
IUPAC Name4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccc(OC)cc1)CSCC(C)C
InChIInChI=1S/C18H31NOS/c1-5-12-19-17(14-21-13-15(2)3)9-6-16-7-10-18(20-4)11-8-16/h7-8,10-11,15,17,19H,5-6,9,12-14H2,1-4H3
InChIKeyRGEWLISCKWVKKG-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
CID 115845424
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 79959286
N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine
CID 65445532
4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
CID 115648572
1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine
CID 105005908
1-(2-methylpropylsulfanyl)-N-propylhexan-2-amine
CID 65135368
4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine
CID 79615993
4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine
CID 61064106
1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65478586
1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 65446483
N-[2-(4-methoxyphenyl)ethyl]octan-4-amine
CID 106024444
7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine
CID 105177113

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine (CID 65446675) is 4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine is CCCNC(CCc1ccc(OC)cc1)CSCC(C)C.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine?
The InChIKey is RGEWLISCKWVKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NOS/c1-5-12-19-17(14-21-13-15(2)3)9-6-16-7-10-18(20-4)11-8-16/h7-8,10-11,15,17,19H,5-6,9,12-14H2,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine?
4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine is sourced from PubChem (CID 65446675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).