2-[4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]ethanamine

C16H24N2O — CID 79677288

IUPAC2-[4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]ethanamine
SMILESNCCc1ccc(CN2CC3(CCOCC3)C2)cc1
InChIInChI=1S/C16H24N2O/c17-8-5-14-1-3-15(4-2-14)11-18-12-16(13-18)6-9-19-10-7-16/h1-4H,5-13,17H2
InChIKeyANMIAPAUTPMYBK-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.80
Rot. Bonds4

About 2-[4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]ethanamine

2-[4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]ethanamine (PubChem CID 79677288) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]ethanamine
PubChem CID79677288
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]ethanamine
SMILESNCCc1ccc(CN2CC3(CCOCC3)C2)cc1
InChIInChI=1S/C16H24N2O/c17-8-5-14-1-3-15(4-2-14)11-18-12-16(13-18)6-9-19-10-7-16/h1-4H,5-13,17H2
InChIKeyANMIAPAUTPMYBK-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)aniline
CID 79689336
3-[4-(morpholin-4-ylmethyl)phenyl]propan-1-amine
CID 83384330
2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine
CID 79686583
4-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethyl]benzoic acid
CID 79694512
2-(4-morpholin-4-ylphenyl)ethanamine
CID 23009596
2-[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)phenyl]ethanamine
CID 170868542
2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine
CID 104959118
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
2-[4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 63786659
9-[[4-(2-aminoethyl)phenyl]methyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
CID 154896501
4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298903

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]ethanamine (CID 79677288) is 2-[4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]ethanamine is NCCc1ccc(CN2CC3(CCOCC3)C2)cc1.
What is the InChIKey of 2-[4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]ethanamine?
The InChIKey is ANMIAPAUTPMYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-8-5-14-1-3-15(4-2-14)11-18-12-16(13-18)6-9-19-10-7-16/h1-4H,5-13,17H2.
What are the key properties of 2-[4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]ethanamine?
2-[4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]ethanamine has a molecular weight of 260.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]ethanamine is sourced from PubChem (CID 79677288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).