N-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine

C18H28N2O — CID 115562202

IUPACN-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCN2CC3CCCC3C2)c1
InChIInChI=1S/C18H28N2O/c1-2-19-12-15-5-3-8-18(11-15)21-10-9-20-13-16-6-4-7-17(16)14-20/h3,5,8,11,16-17,19H,2,4,6-7,9-10,12-14H2,1H3
InChIKeyGGQKTFNOERYFOA-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.91
Rot. Bonds7

About N-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine

N-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 115562202) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID115562202
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCN2CC3CCCC3C2)c1
InChIInChI=1S/C18H28N2O/c1-2-19-12-15-5-3-8-18(11-15)21-10-9-20-13-16-6-4-7-17(16)14-20/h3,5,8,11,16-17,19H,2,4,6-7,9-10,12-14H2,1H3
InChIKeyGGQKTFNOERYFOA-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 ≤ 500288.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine
CID 66370228
N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62423065
2-[2-(3-bromophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113336045
N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 79178291
N-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 83220271
[3-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]methanamine
CID 115559129
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 54962036
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 59230604

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine (CID 115562202) is N-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1cccc(OCCN2CC3CCCC3C2)c1.
What is the InChIKey of N-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is GGQKTFNOERYFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-19-12-15-5-3-8-18(11-15)21-10-9-20-13-16-6-4-7-17(16)14-20/h3,5,8,11,16-17,19H,2,4,6-7,9-10,12-14H2,1H3.
What are the key properties of N-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 288.44 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-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 115562202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).