N-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine

C18H30N2O — CID 83220271

IUPACN-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCN2C(C)CCC2CC)c1
InChIInChI=1S/C18H30N2O/c1-4-17-10-9-15(3)20(17)11-12-21-18-8-6-7-16(13-18)14-19-5-2/h6-8,13,15,17,19H,4-5,9-12,14H2,1-3H3
InChIKeyXKFDLQDGKGEASR-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds8

About N-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine

N-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 83220271) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID83220271
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCN2C(C)CCC2CC)c1
InChIInChI=1S/C18H30N2O/c1-4-17-10-9-15(3)20(17)11-12-21-18-8-6-7-16(13-18)14-19-5-2/h6-8,13,15,17,19H,4-5,9-12,14H2,1-3H3
InChIKeyXKFDLQDGKGEASR-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62423065
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-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine
CID 66370228
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 54962036
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60957544
N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 59230604
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227158

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine (CID 83220271) is N-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1cccc(OCCN2C(C)CCC2CC)c1.
What is the InChIKey of N-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is XKFDLQDGKGEASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-17-10-9-15(3)20(17)11-12-21-18-8-6-7-16(13-18)14-19-5-2/h6-8,13,15,17,19H,4-5,9-12,14H2,1-3H3.
What are the key properties of N-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 83220271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).