N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine

C15H23NO2S — CID 102671001

IUPACN-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine
SMILESCOCCOc1cc(C)ccc1NC1CCSC1C
InChIInChI=1S/C15H23NO2S/c1-11-4-5-14(15(10-11)18-8-7-17-3)16-13-6-9-19-12(13)2/h4-5,10,12-13,16H,6-9H2,1-3H3
InChIKeyCZSMTNKHDRBCFN-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.33
Rot. Bonds6

About N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine

N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine (PubChem CID 102671001) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine
PubChem CID102671001
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine
SMILESCOCCOc1cc(C)ccc1NC1CCSC1C
InChIInChI=1S/C15H23NO2S/c1-11-4-5-14(15(10-11)18-8-7-17-3)16-13-6-9-19-12(13)2/h4-5,10,12-13,16H,6-9H2,1-3H3
InChIKeyCZSMTNKHDRBCFN-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
CID 60934945
N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline
CID 63453168
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364385
N-(2,4-dimethoxyphenyl)-2-methylthiolan-3-amine
CID 102670987
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,1-dioxothian-4-amine
CID 60934699
N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine
CID 63335368
N-[2-(2-methoxyethoxy)-4-methylphenyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 60936556
N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline
CID 62633183
4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline
CID 65045783
2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119726882
2-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975087
N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline
CID 115916601

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine (CID 102671001) is N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine is COCCOc1cc(C)ccc1NC1CCSC1C.
What is the InChIKey of N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine?
The InChIKey is CZSMTNKHDRBCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11-4-5-14(15(10-11)18-8-7-17-3)16-13-6-9-19-12(13)2/h4-5,10,12-13,16H,6-9H2,1-3H3.
What are the key properties of N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine?
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine has a molecular weight of 281.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine is sourced from PubChem (CID 102671001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).