N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine

C17H28N2O2 — CID 63009926

IUPACN-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
SMILESCOCCCN(C)CCOc1ccccc1CNC1CC1
InChIInChI=1S/C17H28N2O2/c1-19(10-5-12-20-2)11-13-21-17-7-4-3-6-15(17)14-18-16-8-9-16/h3-4,6-7,16,18H,5,8-14H2,1-2H3
InChIKeyHQMHUCUNRNBFOY-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.29
Rot. Bonds11

About N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine

N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 63009926) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID63009926
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
SMILESCOCCCN(C)CCOc1ccccc1CNC1CC1
InChIInChI=1S/C17H28N2O2/c1-19(10-5-12-20-2)11-13-21-17-7-4-3-6-15(17)14-18-16-8-9-16/h3-4,6-7,16,18H,5,8-14H2,1-2H3
InChIKeyHQMHUCUNRNBFOY-UHFFFAOYSA-N
XLogP2.29
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 43277400
N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62418765
N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 63009386
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988475
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62443971
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methylbutan-1-amine
CID 62425318
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 54937034
N-(cyclopropylmethyl)-N-methyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 55074002
N-[[5-bromo-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646884
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[[6-[[3-methoxypropyl(methyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906493

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine (CID 63009926) is N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine is COCCCN(C)CCOc1ccccc1CNC1CC1.
What is the InChIKey of N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is HQMHUCUNRNBFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-19(10-5-12-20-2)11-13-21-17-7-4-3-6-15(17)14-18-16-8-9-16/h3-4,6-7,16,18H,5,8-14H2,1-2H3.
What are the key properties of N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine?
N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 292.42 g/mol, XLogP of 2.29, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63009926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).