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

C14H21NOS — CID 79941827

IUPACN-[2-(ethoxymethyl)phenyl]-5-methylthiolan-3-amine
SMILESCCOCc1ccccc1NC1CSC(C)C1
InChIInChI=1S/C14H21NOS/c1-3-16-9-12-6-4-5-7-14(12)15-13-8-11(2)17-10-13/h4-7,11,13,15H,3,8-10H2,1-2H3
InChIKeyJHLYKLUOPHHWIV-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.53
Rot. Bonds5

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

N-[2-(ethoxymethyl)phenyl]-5-methylthiolan-3-amine (PubChem CID 79941827) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-[2-(ethoxymethyl)phenyl]-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[2-(ethoxymethyl)phenyl]-5-methylthiolan-3-amine
PubChem CID79941827
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-[2-(ethoxymethyl)phenyl]-5-methylthiolan-3-amine
SMILESCCOCc1ccccc1NC1CSC(C)C1
InChIInChI=1S/C14H21NOS/c1-3-16-9-12-6-4-5-7-14(12)15-13-8-11(2)17-10-13/h4-7,11,13,15H,3,8-10H2,1-2H3
InChIKeyJHLYKLUOPHHWIV-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64500672
N-[2-(ethoxymethyl)phenyl]cycloheptanamine
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N-[2-(ethoxymethyl)phenyl]-5,5-dimethylthian-3-amine
CID 79958221
N-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658557
N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine
CID 79941506
N-[2-(ethoxymethyl)phenyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931357
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide
CID 79941723
5-methyl-N-(2,3,4-trifluorophenyl)thiolan-3-amine
CID 79941681
N-(2-imidazol-1-ylphenyl)-5-methylthiolan-3-amine
CID 79942626
2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine
CID 66386371
2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43750319

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethoxymethyl)phenyl]-5-methylthiolan-3-amine?
The IUPAC name of N-[2-(ethoxymethyl)phenyl]-5-methylthiolan-3-amine (CID 79941827) is N-[2-(ethoxymethyl)phenyl]-5-methylthiolan-3-amine.
What is the SMILES notation for N-[2-(ethoxymethyl)phenyl]-5-methylthiolan-3-amine?
The canonical SMILES for N-[2-(ethoxymethyl)phenyl]-5-methylthiolan-3-amine is CCOCc1ccccc1NC1CSC(C)C1.
What is the InChIKey of N-[2-(ethoxymethyl)phenyl]-5-methylthiolan-3-amine?
The InChIKey is JHLYKLUOPHHWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-16-9-12-6-4-5-7-14(12)15-13-8-11(2)17-10-13/h4-7,11,13,15H,3,8-10H2,1-2H3.
What are the key properties of N-[2-(ethoxymethyl)phenyl]-5-methylthiolan-3-amine?
N-[2-(ethoxymethyl)phenyl]-5-methylthiolan-3-amine has a molecular weight of 251.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethoxymethyl)phenyl]-5-methylthiolan-3-amine is sourced from PubChem (CID 79941827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).