N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine

C17H28N2O2 — CID 82734709

IUPACN-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine
SMILESCCNCc1ccc(OCCN(C)C2CCOC2C)cc1
InChIInChI=1S/C17H28N2O2/c1-4-18-13-15-5-7-16(8-6-15)21-12-10-19(3)17-9-11-20-14(17)2/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyFUKJCTXTYBVQLD-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.28
Rot. Bonds8

About N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine

N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82734709) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine
PubChem CID82734709
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine
SMILESCCNCc1ccc(OCCN(C)C2CCOC2C)cc1
InChIInChI=1S/C17H28N2O2/c1-4-18-13-15-5-7-16(8-6-15)21-12-10-19(3)17-9-11-20-14(17)2/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyFUKJCTXTYBVQLD-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine (CID 82734709) is N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine is CCNCc1ccc(OCCN(C)C2CCOC2C)cc1.
What is the InChIKey of N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is FUKJCTXTYBVQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-18-13-15-5-7-16(8-6-15)21-12-10-19(3)17-9-11-20-14(17)2/h5-8,14,17-18H,4,9-13H2,1-3H3.
What are the key properties of N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine?
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 292.42 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82734709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).