2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline

C16H23NO2 — CID 102896577

IUPAC2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
SMILESCOc1ccccc1NCC1CCC2(CCCC2)O1
InChIInChI=1S/C16H23NO2/c1-18-15-7-3-2-6-14(15)17-12-13-8-11-16(19-13)9-4-5-10-16/h2-3,6-7,13,17H,4-5,8-12H2,1H3
InChIKeyFMPXBDQMOBPBOJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.60
Rot. Bonds4

About 2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline

2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline (PubChem CID 102896577) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
PubChem CID102896577
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
SMILESCOc1ccccc1NCC1CCC2(CCCC2)O1
InChIInChI=1S/C16H23NO2/c1-18-15-7-3-2-6-14(15)17-12-13-8-11-16(19-13)9-4-5-10-16/h2-3,6-7,13,17H,4-5,8-12H2,1H3
InChIKeyFMPXBDQMOBPBOJ-UHFFFAOYSA-N
XLogP3.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102896587
3-methoxy-4-(1-oxaspiro[4.4]nonan-2-ylmethylamino)benzonitrile
CID 102897797
4-bromo-3-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102897684
2-bromo-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 102897644
2-fluoro-5-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102897506
3-chloro-4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 102896586
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline
CID 116521071
2-chloro-4-fluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102896790
2-fluoro-5-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 102896766
[3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898609
2,5-dichloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 102896565
N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896894

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline?
The IUPAC name of 2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline (CID 102896577) is 2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline.
What is the SMILES notation for 2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline?
The canonical SMILES for 2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline is COc1ccccc1NCC1CCC2(CCCC2)O1.
What is the InChIKey of 2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline?
The InChIKey is FMPXBDQMOBPBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-15-7-3-2-6-14(15)17-12-13-8-11-16(19-13)9-4-5-10-16/h2-3,6-7,13,17H,4-5,8-12H2,1H3.
What are the key properties of 2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline?
2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline has a molecular weight of 261.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline is sourced from PubChem (CID 102896577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).