1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine

C15H25N3O — CID 63166233

IUPAC1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CCOc2ccc(CN)cc2)C1
InChIInChI=1S/C15H25N3O/c1-17(2)14-7-8-18(12-14)9-10-19-15-5-3-13(11-16)4-6-15/h3-6,14H,7-12,16H2,1-2H3
InChIKeyLCBOHXRDXUHDMW-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.16
Rot. Bonds6

About 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63166233) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63166233
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CCOc2ccc(CN)cc2)C1
InChIInChI=1S/C15H25N3O/c1-17(2)14-7-8-18(12-14)9-10-19-15-5-3-13(11-16)4-6-15/h3-6,14H,7-12,16H2,1-2H3
InChIKeyLCBOHXRDXUHDMW-UHFFFAOYSA-N
XLogP1.16
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167098
1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166050
1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943937
[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethoxy]phenyl]boronic acid
CID 63164732
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463918
[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine
CID 102956615
2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]acetonitrile
CID 43586007
(3S)-1-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine;benzyl N-[2-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]phenyl]ethyl]carbamate
CID 162059553
[4-[2-(2-ethylmorpholin-4-yl)ethoxy]phenyl]methanamine
CID 43562361
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide
CID 43576087

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 63166233) is 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(CCOc2ccc(CN)cc2)C1.
What is the InChIKey of 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is LCBOHXRDXUHDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17(2)14-7-8-18(12-14)9-10-19-15-5-3-13(11-16)4-6-15/h3-6,14H,7-12,16H2,1-2H3.
What are the key properties of 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 263.38 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63166233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).