N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine

C15H23NOS — CID 103779629

IUPACN-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine
SMILESCCCOc1ccc(C(C)NC2CCSC2)cc1
InChIInChI=1S/C15H23NOS/c1-3-9-17-15-6-4-13(5-7-15)12(2)16-14-8-10-18-11-14/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyJFZUFCRXCYGVFX-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.63
Rot. Bonds6

About N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine

N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine (PubChem CID 103779629) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine
PubChem CID103779629
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine
SMILESCCCOc1ccc(C(C)NC2CCSC2)cc1
InChIInChI=1S/C15H23NOS/c1-3-9-17-15-6-4-13(5-7-15)12(2)16-14-8-10-18-11-14/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyJFZUFCRXCYGVFX-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
N-[(4-propoxyphenyl)methyl]thiolan-3-amine
CID 103701552
1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
CID 43533265
1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine
CID 61170753
N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
CID 81370902
N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine
CID 115718210
N-[1-(4-iodophenyl)ethyl]thian-3-amine
CID 115726645
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine
CID 79861209
N-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine
CID 103779622
N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64500026
N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine
CID 103777484
3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785946

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine?
The IUPAC name of N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine (CID 103779629) is N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine is CCCOc1ccc(C(C)NC2CCSC2)cc1.
What is the InChIKey of N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine?
The InChIKey is JFZUFCRXCYGVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-9-17-15-6-4-13(5-7-15)12(2)16-14-8-10-18-11-14/h4-7,12,14,16H,3,8-11H2,1-2H3.
What are the key properties of N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine?
N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine has a molecular weight of 265.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine is sourced from PubChem (CID 103779629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).