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

C17H30N2O — CID 62421824

IUPACN-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine
SMILESCCNCc1cccc(OCCN(CC)C(C)CC)c1
InChIInChI=1S/C17H30N2O/c1-5-15(4)19(7-3)11-12-20-17-10-8-9-16(13-17)14-18-6-2/h8-10,13,15,18H,5-7,11-12,14H2,1-4H3
InChIKeyLECCCMJVKURMEY-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.30
Rot. Bonds10

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

N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine (PubChem CID 62421824) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine
PubChem CID62421824
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine
SMILESCCNCc1cccc(OCCN(CC)C(C)CC)c1
InChIInChI=1S/C17H30N2O/c1-5-15(4)19(7-3)11-12-20-17-10-8-9-16(13-17)14-18-6-2/h8-10,13,15,18H,5-7,11-12,14H2,1-4H3
InChIKeyLECCCMJVKURMEY-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 55074731
2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine
CID 63692328
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
CID 63572520
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine
CID 62418026
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 55074867
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-[(3-butan-2-yloxyphenyl)methyl]ethanamine
CID 43278347
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine
CID 43265455
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139
N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62419119

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine?
The IUPAC name of N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine (CID 62421824) is N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine.
What is the SMILES notation for N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine?
The canonical SMILES for N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine is CCNCc1cccc(OCCN(CC)C(C)CC)c1.
What is the InChIKey of N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine?
The InChIKey is LECCCMJVKURMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-15(4)19(7-3)11-12-20-17-10-8-9-16(13-17)14-18-6-2/h8-10,13,15,18H,5-7,11-12,14H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine?
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine is sourced from PubChem (CID 62421824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).