N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine

C14H21NO2S — CID 103701615

IUPACN-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine
SMILESCCOc1cccc(CNC2CCSC2)c1OC
InChIInChI=1S/C14H21NO2S/c1-3-17-13-6-4-5-11(14(13)16-2)9-15-12-7-8-18-10-12/h4-6,12,15H,3,7-10H2,1-2H3
InChIKeyISRMUGRHTNFNEL-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.69
Rot. Bonds6

About N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine

N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine (PubChem CID 103701615) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine
PubChem CID103701615
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine
SMILESCCOc1cccc(CNC2CCSC2)c1OC
InChIInChI=1S/C14H21NO2S/c1-3-17-13-6-4-5-11(14(13)16-2)9-15-12-7-8-18-10-12/h4-6,12,15H,3,7-10H2,1-2H3
InChIKeyISRMUGRHTNFNEL-UHFFFAOYSA-N
XLogP2.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]thian-4-amine
CID 115584763
4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220624
N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine
CID 80713225
2-ethoxy-6-[(thian-3-ylamino)methyl]phenol
CID 115676111
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 55071667
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine
CID 43224478
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43434085
N-[(2-ethylphenyl)methyl]thiolan-3-amine
CID 64682824
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[(2,4,5-trimethoxyphenyl)methyl]thiolan-3-amine
CID 103603314

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine?
The IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine (CID 103701615) is N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine is CCOc1cccc(CNC2CCSC2)c1OC.
What is the InChIKey of N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine?
The InChIKey is ISRMUGRHTNFNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-17-13-6-4-5-11(14(13)16-2)9-15-12-7-8-18-10-12/h4-6,12,15H,3,7-10H2,1-2H3.
What are the key properties of N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine?
N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine has a molecular weight of 267.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine is sourced from PubChem (CID 103701615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).