[3-[3-(2-azaspiro[4.4]nonan-2-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine

C30H36N2O — CID 172524370

IUPAC[3-[3-(2-azaspiro[4.4]nonan-2-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine
SMILESCCc1ccccc1OCc1cc(-c2cccc(CN)c2)cc(N2CCC3(CCCC3)C2)c1
InChIInChI=1S/C30H36N2O/c1-2-25-9-3-4-11-29(25)33-21-24-17-27(26-10-7-8-23(16-26)20-31)19-28(18-24)32-15-14-30(22-32)12-5-6-13-30/h3-4,7-11,16-19H,2,5-6,12-15,20-22,31H2,1H3
InChIKeyUVJQRHAPVIWCFW-UHFFFAOYSA-N
MW440.63 g/mol
LogP6.72
Rot. Bonds7

About [3-[3-(2-azaspiro[4.4]nonan-2-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine

[3-[3-(2-azaspiro[4.4]nonan-2-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine (PubChem CID 172524370) has the molecular formula C30H36N2O and a molecular weight of 440.63 g/mol. Its IUPAC name is [3-[3-(2-azaspiro[4.4]nonan-2-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(2-azaspiro[4.4]nonan-2-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine
PubChem CID172524370
Molecular FormulaC30H36N2O
Molecular Weight440.63 g/mol
Exact Mass440.28
IUPAC Name[3-[3-(2-azaspiro[4.4]nonan-2-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine
SMILESCCc1ccccc1OCc1cc(-c2cccc(CN)c2)cc(N2CCC3(CCCC3)C2)c1
InChIInChI=1S/C30H36N2O/c1-2-25-9-3-4-11-29(25)33-21-24-17-27(26-10-7-8-23(16-26)20-31)19-28(18-24)32-15-14-30(22-32)12-5-6-13-30/h3-4,7-11,16-19H,2,5-6,12-15,20-22,31H2,1H3
InChIKeyUVJQRHAPVIWCFW-UHFFFAOYSA-N
XLogP6.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[3-[3-(aminomethyl)phenyl]-5-(2-azaspiro[3.5]nonan-2-yl)phenyl]methoxy]phenyl]acetic acid
CID 172524455
[3-[3-(3-azabicyclo[3.2.1]octan-3-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine
CID 172524604
1-[3-[3-[(2-ethylphenoxy)methyl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)phenyl]phenyl]ethanamine
CID 172524387
[2-[[3-[3-(aminomethyl)phenyl]-5-(6-azaspiro[2.5]octan-6-yl)phenyl]methoxy]-4-fluorophenyl]methyl formate
CID 172524566
methyl 2-[2-[[3-[3-(aminomethyl)-5-fluorophenyl]-5-(6-azaspiro[2.5]octan-6-yl)phenyl]methoxy]phenyl]acetate
CID 172524443
1-[3-[3-[(2-ethylphenoxy)methyl]-5-(1-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]-2-fluorophenyl]-2-fluoroethanamine
CID 172524515
[2-[[3-[3-[(1R)-1-amino-2-hydroxyethyl]phenyl]-5-(2-azaspiro[3.4]octan-2-yl)phenyl]methoxy]phenyl]methyl formate
CID 172524321
2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol
CID 144778131
methyl 2-[2-[[3-[3-(1-aminoethyl)phenyl]-5-(2-oxa-9-azaspiro[5.5]undecan-9-yl)phenyl]methoxy]phenyl]acetate
CID 172524489
2-[2-[[3-[3-[(1R)-1-aminoethyl]phenyl]-5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)phenyl]methoxy]phenyl]acetic acid
CID 171852912
2-[2-[[3-[3-[(1S)-1-aminoethyl]phenyl]-5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)phenyl]methoxy]phenyl]acetic acid
CID 171852928
2-[2-[[3-[3-[(1R)-1-aminoethyl]phenyl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)phenyl]methoxy]phenyl]acetic acid
CID 171852913

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-azaspiro[4.4]nonan-2-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine?
The IUPAC name of [3-[3-(2-azaspiro[4.4]nonan-2-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine (CID 172524370) is [3-[3-(2-azaspiro[4.4]nonan-2-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine.
What is the SMILES notation for [3-[3-(2-azaspiro[4.4]nonan-2-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine?
The canonical SMILES for [3-[3-(2-azaspiro[4.4]nonan-2-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine is CCc1ccccc1OCc1cc(-c2cccc(CN)c2)cc(N2CCC3(CCCC3)C2)c1.
What is the InChIKey of [3-[3-(2-azaspiro[4.4]nonan-2-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine?
The InChIKey is UVJQRHAPVIWCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O/c1-2-25-9-3-4-11-29(25)33-21-24-17-27(26-10-7-8-23(16-26)20-31)19-28(18-24)32-15-14-30(22-32)12-5-6-13-30/h3-4,7-11,16-19H,2,5-6,12-15,20-22,31H2,1H3.
What are the key properties of [3-[3-(2-azaspiro[4.4]nonan-2-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine?
[3-[3-(2-azaspiro[4.4]nonan-2-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine has a molecular weight of 440.63 g/mol, XLogP of 6.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-azaspiro[4.4]nonan-2-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine is sourced from PubChem (CID 172524370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).