1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine

C14H23NOS — CID 79574324

IUPAC1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCCNC(COCC)CSc1ccccc1C
InChIInChI=1S/C14H23NOS/c1-4-15-13(10-16-5-2)11-17-14-9-7-6-8-12(14)3/h6-9,13,15H,4-5,10-11H2,1-3H3
InChIKeySQRIXIDKUFHSNR-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.10
Rot. Bonds8

About 1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine

1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine (PubChem CID 79574324) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine
PubChem CID79574324
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCCNC(COCC)CSc1ccccc1C
InChIInChI=1S/C14H23NOS/c1-4-15-13(10-16-5-2)11-17-14-9-7-6-8-12(14)3/h6-9,13,15H,4-5,10-11H2,1-3H3
InChIKeySQRIXIDKUFHSNR-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine
CID 66096345
N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine
CID 66097381
N-ethyl-1-(2-methylphenyl)sulfanylhex-5-yn-2-amine
CID 66096759
N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine
CID 79444367
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098442
1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66097384
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine
CID 79575022
1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096970
N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine
CID 64627121
1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66098648
1-(2-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 66098448
N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine
CID 79575255

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine (CID 79574324) is 1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine is CCNC(COCC)CSc1ccccc1C.
What is the InChIKey of 1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is SQRIXIDKUFHSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-15-13(10-16-5-2)11-17-14-9-7-6-8-12(14)3/h6-9,13,15H,4-5,10-11H2,1-3H3.
What are the key properties of 1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine?
1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 79574324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).