2-methoxy-5-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)aniline

C15H22N2O2 — CID 79689336

IUPAC2-methoxy-5-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)aniline
SMILESCOc1ccc(CN2CC3(CCOCC3)C2)cc1N
InChIInChI=1S/C15H22N2O2/c1-18-14-3-2-12(8-13(14)16)9-17-10-15(11-17)4-6-19-7-5-15/h2-3,8H,4-7,9-11,16H2,1H3
InChIKeySJCXKMDPNVGWRO-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.89
Rot. Bonds3

About 2-methoxy-5-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)aniline

2-methoxy-5-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)aniline (PubChem CID 79689336) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-methoxy-5-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)aniline
PubChem CID79689336
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-methoxy-5-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)aniline
SMILESCOc1ccc(CN2CC3(CCOCC3)C2)cc1N
InChIInChI=1S/C15H22N2O2/c1-18-14-3-2-12(8-13(14)16)9-17-10-15(11-17)4-6-19-7-5-15/h2-3,8H,4-7,9-11,16H2,1H3
InChIKeySJCXKMDPNVGWRO-UHFFFAOYSA-N
XLogP1.89
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(3-amino-4-methoxyphenyl)methyl]-4-methylazepan-4-ol
CID 107403894
[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]methanamine
CID 104848471
2-methoxy-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]aniline
CID 62987382
1-[(3-amino-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62942602
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline
CID 61440178
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-methoxyaniline
CID 63189317
5-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-methoxyaniline
CID 62886240
5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-methoxyaniline
CID 62774197
5-[(4-benzylpiperidin-1-yl)methyl]-2-methoxyaniline
CID 39448734
3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline
CID 79688857
3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline
CID 79689222
2-[(3-amino-4-methoxyphenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81099811

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)aniline?
The IUPAC name of 2-methoxy-5-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)aniline (CID 79689336) is 2-methoxy-5-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)aniline.
What is the SMILES notation for 2-methoxy-5-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)aniline?
The canonical SMILES for 2-methoxy-5-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)aniline is COc1ccc(CN2CC3(CCOCC3)C2)cc1N.
What is the InChIKey of 2-methoxy-5-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)aniline?
The InChIKey is SJCXKMDPNVGWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-14-3-2-12(8-13(14)16)9-17-10-15(11-17)4-6-19-7-5-15/h2-3,8H,4-7,9-11,16H2,1H3.
What are the key properties of 2-methoxy-5-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)aniline?
2-methoxy-5-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)aniline has a molecular weight of 262.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)aniline is sourced from PubChem (CID 79689336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).