1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol

C14H22N2O2 — CID 62941147

IUPAC1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol
SMILESNCCc1ccc(OCCN2CCC(O)C2)cc1
InChIInChI=1S/C14H22N2O2/c15-7-5-12-1-3-14(4-2-12)18-10-9-16-8-6-13(17)11-16/h1-4,13,17H,5-11,15H2
InChIKeyAYVNMSXGNWJCNT-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.63
Rot. Bonds6

About 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol

1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol (PubChem CID 62941147) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol
PubChem CID62941147
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol
SMILESNCCc1ccc(OCCN2CCC(O)C2)cc1
InChIInChI=1S/C14H22N2O2/c15-7-5-12-1-3-14(4-2-12)18-10-9-16-8-6-13(17)11-16/h1-4,13,17H,5-11,15H2
InChIKeyAYVNMSXGNWJCNT-UHFFFAOYSA-N
XLogP0.63
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943937
2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
CID 102956585
4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 78962070
1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 63603160
1-[2-(4-aminophenyl)ethyl]pyrrolidin-3-ol
CID 62941498
[1-[2-[4-(2-aminoethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778148
2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride
CID 71941842
1-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943590
1-[2-[4-(hydroxymethyl)phenoxy]ethyl]pyrrolidin-3-ol;trifluoromethoxybenzene
CID 145415282
1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol
CID 60644915
(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 107225998

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol (CID 62941147) is 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol is NCCc1ccc(OCCN2CCC(O)C2)cc1.
What is the InChIKey of 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol?
The InChIKey is AYVNMSXGNWJCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-7-5-12-1-3-14(4-2-12)18-10-9-16-8-6-13(17)11-16/h1-4,13,17H,5-11,15H2.
What are the key properties of 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol?
1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol has a molecular weight of 250.34 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 62941147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).