N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine

C16H26N2O — CID 102740885

IUPACN-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine
SMILESCCNCc1cccc(COCCN(C)C2CC2)c1
InChIInChI=1S/C16H26N2O/c1-3-17-12-14-5-4-6-15(11-14)13-19-10-9-18(2)16-7-8-16/h4-6,11,16-17H,3,7-10,12-13H2,1-2H3
InChIKeyHMOLXUJGEOQLQV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.41
Rot. Bonds9

About N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine

N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine (PubChem CID 102740885) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine
PubChem CID102740885
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine
SMILESCCNCc1cccc(COCCN(C)C2CC2)c1
InChIInChI=1S/C16H26N2O/c1-3-17-12-14-5-4-6-15(11-14)13-19-10-9-18(2)16-7-8-16/h4-6,11,16-17H,3,7-10,12-13H2,1-2H3
InChIKeyHMOLXUJGEOQLQV-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.41
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,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine
CID 62460949
N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine
CID 62485606
N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine
CID 62445525
N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine
CID 79112977
2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 81068359
N-[[3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methyl]ethanamine
CID 106667655
N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-N-methylthiolan-3-amine
CID 62420931
N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
CID 82831547
N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740671
N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine
CID 102740938
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline
CID 82353951

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine (CID 102740885) is N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine is CCNCc1cccc(COCCN(C)C2CC2)c1.
What is the InChIKey of N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine?
The InChIKey is HMOLXUJGEOQLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-17-12-14-5-4-6-15(11-14)13-19-10-9-18(2)16-7-8-16/h4-6,11,16-17H,3,7-10,12-13H2,1-2H3.
What are the key properties of N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine?
N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine has a molecular weight of 262.40 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 102740885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).