N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine

C16H28N2O — CID 62460949

IUPACN,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine
SMILESCCNCc1cccc(COCCN(CC)CC)c1
InChIInChI=1S/C16H28N2O/c1-4-17-13-15-8-7-9-16(12-15)14-19-11-10-18(5-2)6-3/h7-9,12,17H,4-6,10-11,13-14H2,1-3H3
InChIKeyOGKZNHPOSNCVFK-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.65
Rot. Bonds10

About N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine

N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine (PubChem CID 62460949) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine
PubChem CID62460949
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine
SMILESCCNCc1cccc(COCCN(CC)CC)c1
InChIInChI=1S/C16H28N2O/c1-4-17-13-15-8-7-9-16(12-15)14-19-11-10-18(5-2)6-3/h7-9,12,17H,4-6,10-11,13-14H2,1-3H3
InChIKeyOGKZNHPOSNCVFK-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine
CID 102740885
N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine
CID 62445525
2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine
CID 63692328
N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine
CID 62485606
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
N-[[3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methyl]ethanamine
CID 106667655
N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
CID 54896843
N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine
CID 79112977
N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
CID 82831547
2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 81068359
N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine
CID 65125563
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine (CID 62460949) is N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine is CCNCc1cccc(COCCN(CC)CC)c1.
What is the InChIKey of N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine?
The InChIKey is OGKZNHPOSNCVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-17-13-15-8-7-9-16(12-15)14-19-11-10-18(5-2)6-3/h7-9,12,17H,4-6,10-11,13-14H2,1-3H3.
What are the key properties of N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine?
N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine has a molecular weight of 264.41 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine is sourced from PubChem (CID 62460949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).