4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine

C14H23NOS — CID 64628326

IUPAC4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCSc1ccccc1OC
InChIInChI=1S/C14H23NOS/c1-4-10-15-12(2)9-11-17-14-8-6-5-7-13(14)16-3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyDNTMMEJOWQSLCL-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.57
Rot. Bonds8

About 4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine

4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine (PubChem CID 64628326) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine
PubChem CID64628326
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCSc1ccccc1OC
InChIInChI=1S/C14H23NOS/c1-4-10-15-12(2)9-11-17-14-8-6-5-7-13(14)16-3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyDNTMMEJOWQSLCL-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine
CID 64649454
4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine
CID 64625894
1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine
CID 55092504
3-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 66437216
1-(1,1-dideuterio(113C)ethylsulfanyl)-2-methoxybenzene
CID 58500338
1-(3-chloropropylsulfanyl)-2-methoxybenzene
CID 57163919
2-ethoxy-4-(2-methoxyphenyl)sulfanylbutanoic acid
CID 63098622
5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 64619560
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine
CID 107763020
N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine
CID 64627121
1-[2-(3-methylbutylsulfanyl)phenyl]-N-propylpropan-1-amine
CID 107750878

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine?
The IUPAC name of 4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine (CID 64628326) is 4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine?
The canonical SMILES for 4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine is CCCNC(C)CCSc1ccccc1OC.
What is the InChIKey of 4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine?
The InChIKey is DNTMMEJOWQSLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-10-15-12(2)9-11-17-14-8-6-5-7-13(14)16-3/h5-8,12,15H,4,9-11H2,1-3H3.
What are the key properties of 4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine?
4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine is sourced from PubChem (CID 64628326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).