4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine

C13H19NOS — CID 83196810

IUPAC4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine
SMILESCOc1ccc(C)cc1CC1CSCC1N
InChIInChI=1S/C13H19NOS/c1-9-3-4-13(15-2)10(5-9)6-11-7-16-8-12(11)14/h3-5,11-12H,6-8,14H2,1-2H3
InChIKeyYGHAUYYGVOCDFM-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.24
Rot. Bonds3

About 4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine

4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine (PubChem CID 83196810) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine
PubChem CID83196810
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine
SMILESCOc1ccc(C)cc1CC1CSCC1N
InChIInChI=1S/C13H19NOS/c1-9-3-4-13(15-2)10(5-9)6-11-7-16-8-12(11)14/h3-5,11-12H,6-8,14H2,1-2H3
InChIKeyYGHAUYYGVOCDFM-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55136665
4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine
CID 55041701
3-bromo-4-[(5-bromo-2-methoxyphenyl)methyl]thiolane
CID 83189971
3-bromo-4-[(5-chloro-2-methoxyphenyl)methyl]thiolane
CID 83190412
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021831
4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine
CID 114346511
4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol
CID 62161726
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033186
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81026863
2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 81014703
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 82159054

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine?
The IUPAC name of 4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine (CID 83196810) is 4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine.
What is the SMILES notation for 4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine?
The canonical SMILES for 4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine is COc1ccc(C)cc1CC1CSCC1N.
What is the InChIKey of 4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine?
The InChIKey is YGHAUYYGVOCDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9-3-4-13(15-2)10(5-9)6-11-7-16-8-12(11)14/h3-5,11-12H,6-8,14H2,1-2H3.
What are the key properties of 4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine?
4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine has a molecular weight of 237.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine is sourced from PubChem (CID 83196810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).