N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine

C16H26N2OS — CID 62420931

IUPACN-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine
SMILESCCNCc1cccc(OCCN(C)C2CCSC2)c1
InChIInChI=1S/C16H26N2OS/c1-3-17-12-14-5-4-6-16(11-14)19-9-8-18(2)15-7-10-20-13-15/h4-6,11,15,17H,3,7-10,12-13H2,1-2H3
InChIKeyHAYNVJSJBAOPIX-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.61
Rot. Bonds8

About N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine

N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine (PubChem CID 62420931) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine
PubChem CID62420931
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine
SMILESCCNCc1cccc(OCCN(C)C2CCSC2)c1
InChIInChI=1S/C16H26N2OS/c1-3-17-12-14-5-4-6-16(11-14)19-9-8-18(2)15-7-10-20-13-15/h4-6,11,15,17H,3,7-10,12-13H2,1-2H3
InChIKeyHAYNVJSJBAOPIX-UHFFFAOYSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-[(cyclopropylamino)methyl]phenoxy]ethyl]-N-methylthiolan-3-amine
CID 62421119
N-methyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]thiolan-3-amine
CID 62421305
N-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine
CID 115625903
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine
CID 62418135
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 55074731
N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine
CID 102740885
N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine
CID 119113268
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62421824
2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine
CID 63692328
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine (CID 62420931) is N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine is CCNCc1cccc(OCCN(C)C2CCSC2)c1.
What is the InChIKey of N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine?
The InChIKey is HAYNVJSJBAOPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-3-17-12-14-5-4-6-16(11-14)19-9-8-18(2)15-7-10-20-13-15/h4-6,11,15,17H,3,7-10,12-13H2,1-2H3.
What are the key properties of N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine?
N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine has a molecular weight of 294.46 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 62420931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).