(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine

C15H23NOS — CID 105180756

IUPAC(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)C1(C)CCCS1
InChIInChI=1S/C15H23NOS/c1-3-10-17-13-8-5-4-7-12(13)14(16)15(2)9-6-11-18-15/h4-5,7-8,14H,3,6,9-11,16H2,1-2H3
InChIKeyXADNCGQSEGDRHR-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.76
Rot. Bonds5

About (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine

(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine (PubChem CID 105180756) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine
PubChem CID105180756
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)C1(C)CCCS1
InChIInChI=1S/C15H23NOS/c1-3-10-17-13-8-5-4-7-12(13)14(16)15(2)9-6-11-18-15/h4-5,7-8,14H,3,6,9-11,16H2,1-2H3
InChIKeyXADNCGQSEGDRHR-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-ethoxyphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine
CID 105304446
1-(2-propoxyphenyl)nonan-1-amine
CID 105035941
2-ethoxy-1-(2-propoxyphenyl)ethanamine
CID 104660329
(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone
CID 105128593
isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine
CID 103137667
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine
CID 104660529
3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine
CID 105035854
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
3-phenyl-1-(2-propoxyphenyl)propan-1-amine
CID 104659951

Frequently Asked Questions

What is the IUPAC name of (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine?
The IUPAC name of (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine (CID 105180756) is (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine.
What is the SMILES notation for (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine?
The canonical SMILES for (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(N)C1(C)CCCS1.
What is the InChIKey of (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine?
The InChIKey is XADNCGQSEGDRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-10-17-13-8-5-4-7-12(13)14(16)15(2)9-6-11-18-15/h4-5,7-8,14H,3,6,9-11,16H2,1-2H3.
What are the key properties of (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine?
(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine has a molecular weight of 265.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 105180756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).