2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol

C17H26N2O — CID 79603647

IUPAC2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol
SMILESCC(N)c1ccc(N2CCC3(CCCC3)CC2)cc1O
InChIInChI=1S/C17H26N2O/c1-13(18)15-5-4-14(12-16(15)20)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12-13,20H,2-3,6-11,18H2,1H3
InChIKeyYKMXCCBDCLMUCN-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.57
Rot. Bonds2

About 2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol

2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol (PubChem CID 79603647) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol
PubChem CID79603647
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol
SMILESCC(N)c1ccc(N2CCC3(CCCC3)CC2)cc1O
InChIInChI=1S/C17H26N2O/c1-13(18)15-5-4-14(12-16(15)20)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12-13,20H,2-3,6-11,18H2,1H3
InChIKeyYKMXCCBDCLMUCN-UHFFFAOYSA-N
XLogP3.57
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol
CID 107393078
4-[4-(1-aminoethyl)-3-hydroxyphenyl]piperazine-2,6-dione
CID 79603399
5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol
CID 79603067
1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide
CID 79600593
1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]-4-methylazepan-4-ol
CID 107405265
2-(1-aminoethyl)-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenol
CID 79603996
2-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]-5-methylphenol
CID 82959418
1-[3-hydroxy-4-[1-(methylamino)ethyl]phenyl]-4-methylazepan-4-ol
CID 107405015
2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol
CID 79603304
5-(4,4-diethylpiperidin-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79591200
2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid
CID 104500617
1-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]-4-methylazepan-4-ol
CID 107404966

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol?
The IUPAC name of 2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol (CID 79603647) is 2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol.
What is the SMILES notation for 2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol?
The canonical SMILES for 2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol is CC(N)c1ccc(N2CCC3(CCCC3)CC2)cc1O.
What is the InChIKey of 2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol?
The InChIKey is YKMXCCBDCLMUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(18)15-5-4-14(12-16(15)20)19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12-13,20H,2-3,6-11,18H2,1H3.
What are the key properties of 2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol?
2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol has a molecular weight of 274.41 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol is sourced from PubChem (CID 79603647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).