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

C17H29N3O — CID 63167098

IUPAC1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CCOc2ccc(CN)cc2)C1
InChIInChI=1S/C17H29N3O/c1-3-20(4-2)16-9-10-19(14-16)11-12-21-17-7-5-15(13-18)6-8-17/h5-8,16H,3-4,9-14,18H2,1-2H3
InChIKeyLOHHEOXPDSVQCC-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.94
Rot. Bonds8

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

1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 63167098) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID63167098
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CCOc2ccc(CN)cc2)C1
InChIInChI=1S/C17H29N3O/c1-3-20(4-2)16-9-10-19(14-16)11-12-21-17-7-5-15(13-18)6-8-17/h5-8,16H,3-4,9-14,18H2,1-2H3
InChIKeyLOHHEOXPDSVQCC-UHFFFAOYSA-N
XLogP1.94
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166233
1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63166878
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-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine
CID 102956615
[4-[2-(2-ethylmorpholin-4-yl)ethoxy]phenyl]methanamine
CID 43562361
1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166050
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine
CID 43270088
[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063950
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463918
1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678030

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine (CID 63167098) is 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(CCOc2ccc(CN)cc2)C1.
What is the InChIKey of 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is LOHHEOXPDSVQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-20(4-2)16-9-10-19(14-16)11-12-21-17-7-5-15(13-18)6-8-17/h5-8,16H,3-4,9-14,18H2,1-2H3.
What are the key properties of 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine?
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 291.44 g/mol, XLogP of 1.94, 8 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-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63167098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).