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

C16H26N2O2 — CID 82753988

IUPACN-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine
SMILESCCNCc1ccccc1OCCN(C)C1CCOC1
InChIInChI=1S/C16H26N2O2/c1-3-17-12-14-6-4-5-7-16(14)20-11-9-18(2)15-8-10-19-13-15/h4-7,15,17H,3,8-13H2,1-2H3
InChIKeyZIXRMBPTABWIRO-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.90
Rot. Bonds8

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

N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine (PubChem CID 82753988) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine
PubChem CID82753988
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine
SMILESCCNCc1ccccc1OCCN(C)C1CCOC1
InChIInChI=1S/C16H26N2O2/c1-3-17-12-14-6-4-5-7-16(14)20-11-9-18(2)15-8-10-19-13-15/h4-7,15,17H,3,8-13H2,1-2H3
InChIKeyZIXRMBPTABWIRO-UHFFFAOYSA-N
XLogP1.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]oxolan-3-amine
CID 82754077
N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine
CID 82732858
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine
CID 82753827
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methylbutan-1-amine
CID 62425318
N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 62417039
2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799114
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylpropan-1-amine
CID 62420920
2-[3-[methyl(oxolan-3-yl)amino]propoxy]benzenecarbothioamide
CID 82737803
N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine
CID 43610827
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine
CID 82753990
N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62484361
N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine (CID 82753988) is N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine is CCNCc1ccccc1OCCN(C)C1CCOC1.
What is the InChIKey of N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine?
The InChIKey is ZIXRMBPTABWIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-17-12-14-6-4-5-7-16(14)20-11-9-18(2)15-8-10-19-13-15/h4-7,15,17H,3,8-13H2,1-2H3.
What are the key properties of N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine?
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine has a molecular weight of 278.40 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 82753988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).