N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine

C18H32N2O — CID 115505882

IUPACN-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCCNCc1ccccc1COCCN(C(C)C)C(C)C
InChIInChI=1S/C18H32N2O/c1-6-19-13-17-9-7-8-10-18(17)14-21-12-11-20(15(2)3)16(4)5/h7-10,15-16,19H,6,11-14H2,1-5H3
InChIKeyWRWDKLFWAZOKNJ-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.43
Rot. Bonds10

About N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 115505882) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID115505882
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCCNCc1ccccc1COCCN(C(C)C)C(C)C
InChIInChI=1S/C18H32N2O/c1-6-19-13-17-9-7-8-10-18(17)14-21-12-11-20(15(2)3)16(4)5/h7-10,15-16,19H,6,11-14H2,1-5H3
InChIKeyWRWDKLFWAZOKNJ-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.43
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-(2-methylpropoxymethyl)phenyl]methyl]ethanamine
CID 62445506
N-[[2-(3,3-dimethylbutoxymethyl)phenyl]methyl]ethanamine
CID 66226641
N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505728
N-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 62459872
2-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 43280883
N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62460379
2-methyl-N-[[2-(3-methylbut-3-enoxymethyl)phenyl]methyl]propan-1-amine
CID 114470753
2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82960379
N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
CID 63887722
3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine
CID 115464856
N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine
CID 62444314
N-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63490739

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 115505882) is N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine is CCNCc1ccccc1COCCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is WRWDKLFWAZOKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-19-13-17-9-7-8-10-18(17)14-21-12-11-20(15(2)3)16(4)5/h7-10,15-16,19H,6,11-14H2,1-5H3.
What are the key properties of N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 115505882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).