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

C17H28N2O — CID 79184613

IUPACN-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCN1CC(C)C(C)C1
InChIInChI=1S/C17H28N2O/c1-4-18-11-16-7-5-6-8-17(16)20-10-9-19-12-14(2)15(3)13-19/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyCXOSIOWZZGTMRU-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.76
Rot. Bonds7

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

N-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 79184613) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID79184613
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCN1CC(C)C(C)C1
InChIInChI=1S/C17H28N2O/c1-4-18-11-16-7-5-6-8-17(16)20-10-9-19-12-14(2)15(3)13-19/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyCXOSIOWZZGTMRU-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62438685
N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 79184325
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62438868
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 54936992
N-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62440443
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911038
(3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 138809274
1-[[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385842
N-[(2-but-3-ynoxyphenyl)methyl]ethanamine
CID 60881032
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine (CID 79184613) is N-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1ccccc1OCCN1CC(C)C(C)C1.
What is the InChIKey of N-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is CXOSIOWZZGTMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-18-11-16-7-5-6-8-17(16)20-10-9-19-12-14(2)15(3)13-19/h5-8,14-15,18H,4,9-13H2,1-3H3.
What are the key properties of N-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 79184613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).