3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine

C11H16ClNOS — CID 63069685

IUPAC3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CSc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNOS/c1-2-14-10(7-13)8-15-11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3
InChIKeyVUSICUWJWLEAIX-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.80
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine

3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine (PubChem CID 63069685) has the molecular formula C11H16ClNOS and a molecular weight of 245.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine
PubChem CID63069685
Molecular FormulaC11H16ClNOS
Molecular Weight245.78 g/mol
Exact Mass245.06
IUPAC Name3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CSc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNOS/c1-2-14-10(7-13)8-15-11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3
InChIKeyVUSICUWJWLEAIX-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-(4-methylphenyl)sulfanylpropan-1-amine
CID 63070071
2-ethoxy-3-(4-fluorophenyl)sulfanylpropan-1-amine
CID 63070443
4-(4-chlorophenoxy)-2-ethoxybutan-1-amine
CID 63071445
3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine
CID 64697562
[7-amino-1-(4-chlorophenyl)sulfanylheptan-2-yl] carbamate;propane
CID 165397694
1-(4-chlorophenyl)sulfanylbutan-2-ol
CID 22247728
3-[(4-chlorophenyl)methylsulfinyl]-2-ethoxypropan-1-amine
CID 114792883
2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine
CID 105484979
1-chloro-4-ethylsulfanylbenzene
CID 5324154
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine
CID 63072187
3-(4-chloro-2-methylphenoxy)-2-ethoxypropan-1-amine
CID 63069683
1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene
CID 155719019

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine (CID 63069685) is 3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine is CCOC(CN)CSc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine?
The InChIKey is VUSICUWJWLEAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-2-14-10(7-13)8-15-11-5-3-9(12)4-6-11/h3-6,10H,2,7-8,13H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine?
3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine has a molecular weight of 245.78 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine is sourced from PubChem (CID 63069685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).