N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine

C17H26N2O — CID 62438792

IUPACN-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCC1CCCN1CCOc1ccccc1CNC1CC1
InChIInChI=1S/C17H26N2O/c1-14-5-4-10-19(14)11-12-20-17-7-3-2-6-15(17)13-18-16-8-9-16/h2-3,6-7,14,16,18H,4-5,8-13H2,1H3
InChIKeyNAIKEBCKOHVXHV-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.80
Rot. Bonds7

About N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine

N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 62438792) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID62438792
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCC1CCCN1CCOc1ccccc1CNC1CC1
InChIInChI=1S/C17H26N2O/c1-14-5-4-10-19(14)11-12-20-17-7-3-2-6-15(17)13-18-16-8-9-16/h2-3,6-7,14,16,18H,4-5,8-13H2,1H3
InChIKeyNAIKEBCKOHVXHV-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041
[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine
CID 54882055
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine
CID 62444426
N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine
CID 116793588
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 43277400
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62443971
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 54937034
2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 75030496
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 103132821
N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62418765

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (CID 62438792) is N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is CC1CCCN1CCOc1ccccc1CNC1CC1.
What is the InChIKey of N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is NAIKEBCKOHVXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-5-4-10-19(14)11-12-20-17-7-3-2-6-15(17)13-18-16-8-9-16/h2-3,6-7,14,16,18H,4-5,8-13H2,1H3.
What are the key properties of N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62438792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).