N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine

C14H21NO2S — CID 79942281

IUPACN-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine
SMILESCOCCOc1ccc(NC2CSC(C)C2)cc1
InChIInChI=1S/C14H21NO2S/c1-11-9-13(10-18-11)15-12-3-5-14(6-4-12)17-8-7-16-2/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyQYECNNFSUDTHHY-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.02
Rot. Bonds6

About N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine

N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine (PubChem CID 79942281) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine
PubChem CID79942281
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine
SMILESCOCCOc1ccc(NC2CSC(C)C2)cc1
InChIInChI=1S/C14H21NO2S/c1-11-9-13(10-18-11)15-12-3-5-14(6-4-12)17-8-7-16-2/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyQYECNNFSUDTHHY-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine
CID 80560810
2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
CID 79941718
4-[4-(2-methoxyethoxy)anilino]cyclohexan-1-ol
CID 106594080
6-methoxy-N-(5-methylthiolan-3-yl)pyridin-3-amine
CID 79941406
N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline
CID 80705000
1-methyl-3-[4-[(5-methylthiolan-3-yl)amino]phenyl]urea
CID 79942286
N-(4-butylphenyl)-5-methylthiolan-3-amine
CID 79942068
N-[4-(2-methoxyethoxy)phenyl]-4,4-dimethylthian-3-amine
CID 79949028
1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine
CID 81466938
N-(3,4-dimethylcyclohexyl)-4-propoxyaniline
CID 64745627
N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
CID 79942375
4-[2-(dimethylamino)ethoxy]-N-(3-methylcyclobutyl)aniline
CID 104860156

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine (CID 79942281) is N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine is COCCOc1ccc(NC2CSC(C)C2)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine?
The InChIKey is QYECNNFSUDTHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-9-13(10-18-11)15-12-3-5-14(6-4-12)17-8-7-16-2/h3-6,11,13,15H,7-10H2,1-2H3.
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine?
N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine has a molecular weight of 267.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine is sourced from PubChem (CID 79942281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).