N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine

C17H26N2O — CID 63326889

IUPACN-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine
SMILESCc1ccc(OCCN2CCCC2)c(CNC2CC2)c1
InChIInChI=1S/C17H26N2O/c1-14-4-7-17(15(12-14)13-18-16-5-6-16)20-11-10-19-8-2-3-9-19/h4,7,12,16,18H,2-3,5-6,8-11,13H2,1H3
InChIKeyMCWUITVNCHXQLO-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.72
Rot. Bonds7

About N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine

N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 63326889) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine
PubChem CID63326889
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine
SMILESCc1ccc(OCCN2CCCC2)c(CNC2CC2)c1
InChIInChI=1S/C17H26N2O/c1-14-4-7-17(15(12-14)13-18-16-5-6-16)20-11-10-19-8-2-3-9-19/h4,7,12,16,18H,2-3,5-6,8-11,13H2,1H3
InChIKeyMCWUITVNCHXQLO-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol
CID 63326627
N-[[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 63327094
N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 55204741
N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883333
2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 63325127
N-methyl-1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 63323660
N-[(5-methyl-2-propoxyphenyl)methyl]piperidin-4-amine
CID 171620477
N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine
CID 77011503
[5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
CID 63325192
N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 106929315
1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid
CID 2924381

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine (CID 63326889) is N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine is Cc1ccc(OCCN2CCCC2)c(CNC2CC2)c1.
What is the InChIKey of N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is MCWUITVNCHXQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-4-7-17(15(12-14)13-18-16-5-6-16)20-11-10-19-8-2-3-9-19/h4,7,12,16,18H,2-3,5-6,8-11,13H2,1H3.
What are the key properties of N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine?
N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63326889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).