N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine

C18H28N2O — CID 79178291

IUPACN-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCC1CN(CCOc2cccc(CNC3CC3)c2)CC1C
InChIInChI=1S/C18H28N2O/c1-14-12-20(13-15(14)2)8-9-21-18-5-3-4-16(10-18)11-19-17-6-7-17/h3-5,10,14-15,17,19H,6-9,11-13H2,1-2H3
InChIKeyROLSDLVAWPZLLQ-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.91
Rot. Bonds7

About N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine

N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 79178291) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID79178291
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCC1CN(CCOc2cccc(CNC3CC3)c2)CC1C
InChIInChI=1S/C18H28N2O/c1-14-12-20(13-15(14)2)8-9-21-18-5-3-4-16(10-18)11-19-17-6-7-17/h3-5,10,14-15,17,19H,6-9,11-13H2,1-2H3
InChIKeyROLSDLVAWPZLLQ-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 114413214
N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 43807424
N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493252
N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62440828
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
N-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 115562202
N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 61484058
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62446801
N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471432
N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62423065
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (CID 79178291) is N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is CC1CN(CCOc2cccc(CNC3CC3)c2)CC1C.
What is the InChIKey of N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is ROLSDLVAWPZLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-12-20(13-15(14)2)8-9-21-18-5-3-4-16(10-18)11-19-17-6-7-17/h3-5,10,14-15,17,19H,6-9,11-13H2,1-2H3.
What are the key properties of N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 288.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 79178291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).