N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine

C17H25NO — CID 102896894

IUPACN-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
SMILESCc1ccccc1CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C17H25NO/c1-14-6-2-3-7-15(14)12-18-13-16-8-11-17(19-16)9-4-5-10-17/h2-3,6-7,16,18H,4-5,8-13H2,1H3
InChIKeyYOGMPMJJJXOYCT-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.58
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine

N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine (PubChem CID 102896894) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
PubChem CID102896894
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
SMILESCc1ccccc1CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C17H25NO/c1-14-6-2-3-7-15(14)12-18-13-16-8-11-17(19-16)9-4-5-10-17/h2-3,6-7,16,18H,4-5,8-13H2,1H3
InChIKeyYOGMPMJJJXOYCT-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896978
N-[(4-methylphenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102896721
N-[(5-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 106010999
N-[(2,4-difluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102897175
1-(1-oxaspiro[4.5]decan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 102896758
N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102896687
[3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol
CID 107230384
N-[(2-bromo-5-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102896931
N-[(2-methoxy-4-pyridinyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102897255
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 116521558
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 106398433
1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 116521405

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine (CID 102896894) is N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine is Cc1ccccc1CNCC1CCC2(CCCC2)O1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine?
The InChIKey is YOGMPMJJJXOYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14-6-2-3-7-15(14)12-18-13-16-8-11-17(19-16)9-4-5-10-17/h2-3,6-7,16,18H,4-5,8-13H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine?
N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine is sourced from PubChem (CID 102896894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).