N,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine

C18H32N2O — CID 62436768

IUPACN,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine
SMILESCCC(CC)CN(CC)CCOc1ccc(CNC)cc1
InChIInChI=1S/C18H32N2O/c1-5-16(6-2)15-20(7-3)12-13-21-18-10-8-17(9-11-18)14-19-4/h8-11,16,19H,5-7,12-15H2,1-4H3
InChIKeyUWFHTPDMDUPEHF-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.54
Rot. Bonds11

About N,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine

N,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine (PubChem CID 62436768) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine
PubChem CID62436768
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine
SMILESCCC(CC)CN(CC)CCOc1ccc(CNC)cc1
InChIInChI=1S/C18H32N2O/c1-5-16(6-2)15-20(7-3)12-13-21-18-10-8-17(9-11-18)14-19-4/h8-11,16,19H,5-7,12-15H2,1-4H3
InChIKeyUWFHTPDMDUPEHF-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 55074636
N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine
CID 43588416
N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine
CID 62426627
N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62419349
4-[2-[ethyl(2-ethylbutyl)amino]ethoxy]benzenecarbothioamide
CID 61436777
N-ethyl-2-methoxy-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62434714
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile
CID 79477641
4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline
CID 79477986
1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
CID 3079535
2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde
CID 86033023
4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 21465327

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine?
The IUPAC name of N,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine (CID 62436768) is N,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine.
What is the SMILES notation for N,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine?
The canonical SMILES for N,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine is CCC(CC)CN(CC)CCOc1ccc(CNC)cc1.
What is the InChIKey of N,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine?
The InChIKey is UWFHTPDMDUPEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-16(6-2)15-20(7-3)12-13-21-18-10-8-17(9-11-18)14-19-4/h8-11,16,19H,5-7,12-15H2,1-4H3.
What are the key properties of N,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine?
N,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.54, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine is sourced from PubChem (CID 62436768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).