N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine

C17H28N2O — CID 115463916

IUPACN-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
SMILESCCNCCc1ccccc1CN(CCOC)C1CC1
InChIInChI=1S/C17H28N2O/c1-3-18-11-10-15-6-4-5-7-16(15)14-19(12-13-20-2)17-8-9-17/h4-7,17-18H,3,8-14H2,1-2H3
InChIKeyXGNAONQTTKQVPX-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.45
Rot. Bonds10

About N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine

N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine (PubChem CID 115463916) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
PubChem CID115463916
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
SMILESCCNCCc1ccccc1CN(CCOC)C1CC1
InChIInChI=1S/C17H28N2O/c1-3-18-11-10-15-6-4-5-7-16(15)14-19(12-13-20-2)17-8-9-17/h4-7,17-18H,3,8-14H2,1-2H3
InChIKeyXGNAONQTTKQVPX-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.45
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

2-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
Benzyl(2-methoxyethyl)amine
CID 2396989
3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
N-(2-Methoxyethyl)-1-phenylcyclohexanamine
CID 46839344
2-(Morpholin-4-yl)-1-phenylethan-1-amine
CID 2814462
2-(Morpholin-4-yl)-2-phenylethan-1-amine
CID 3158583
N-benzyl-2-[2-(benzylamino)ethoxy]ethanamine
CID 13126655
N-(1-Phenylcyclohexyl)-2-ethoxyethanamine
CID 46839345
1-(Morpholin-4-yl)-1-phenylpropan-2-amine
CID 3697140
2-(((1S)-1-phenylethyl)amino)ethan-1-ol
CID 2733847
(2-Methoxy-1-methyl-ethyl)-(3-methyl-benzyl)-amine hydrobromide
CID 9549622
(2,4-Dimethylbenzyl)(2-methoxy-1-methylethyl)amine
CID 2850780

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
The IUPAC name of N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine (CID 115463916) is N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine.
What is the SMILES notation for N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
The canonical SMILES for N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine is CCNCCc1ccccc1CN(CCOC)C1CC1.
What is the InChIKey of N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
The InChIKey is XGNAONQTTKQVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-18-11-10-15-6-4-5-7-16(15)14-19(12-13-20-2)17-8-9-17/h4-7,17-18H,3,8-14H2,1-2H3.
What are the key properties of N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine has a molecular weight of 276.42 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine is sourced from PubChem (CID 115463916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).