3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine

C17H23NOS — CID 83973382

IUPAC3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cccc(C(CN)Cc2sccc2C)c1
InChIInChI=1S/C17H23NOS/c1-3-8-19-16-6-4-5-14(10-16)15(12-18)11-17-13(2)7-9-20-17/h4-7,9-10,15H,3,8,11-12,18H2,1-2H3
InChIKeyDXWQRFDQZRIABZ-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.13
Rot. Bonds7

About 3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine

3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine (PubChem CID 83973382) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine
PubChem CID83973382
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cccc(C(CN)Cc2sccc2C)c1
InChIInChI=1S/C17H23NOS/c1-3-8-19-16-6-4-5-14(10-16)15(12-18)11-17-13(2)7-9-20-17/h4-7,9-10,15H,3,8,11-12,18H2,1-2H3
InChIKeyDXWQRFDQZRIABZ-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973441
(3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
CID 55132743
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
CID 83974291
2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83972609
2-(3-chloro-4-ethoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
CID 83973518
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
CID 83973702
(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62499480
3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine
CID 83973413
3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 65190715
2-methoxy-2-(3-propoxyphenyl)ethanamine
CID 66072172

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine?
The IUPAC name of 3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine (CID 83973382) is 3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine is CCCOc1cccc(C(CN)Cc2sccc2C)c1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine?
The InChIKey is DXWQRFDQZRIABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-3-8-19-16-6-4-5-14(10-16)15(12-18)11-17-13(2)7-9-20-17/h4-7,9-10,15H,3,8,11-12,18H2,1-2H3.
What are the key properties of 3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine?
3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 83973382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).