(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C16H23NO — CID 79915466

IUPAC(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCc1ccccc1C(N)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H23NO/c1-12-5-2-3-6-14(12)15(17)13-7-10-18-16(11-13)8-4-9-16/h2-3,5-6,13,15H,4,7-11,17H2,1H3
InChIKeyWDEIPCAKUOJCSM-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.34
Rot. Bonds2

About (2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 79915466) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID79915466
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCc1ccccc1C(N)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H23NO/c1-12-5-2-3-6-14(12)15(17)13-7-10-18-16(11-13)8-4-9-16/h2-3,5-6,13,15H,4,7-11,17H2,1H3
InChIKeyWDEIPCAKUOJCSM-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016729
(2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79915288
(2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104789677
(2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010015
(2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010181
(2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010217
(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914518
[(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322135
(2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016664
(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79913941
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915576
(3-bromo-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010172

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of (2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 79915466) is (2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for (2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for (2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is Cc1ccccc1C(N)C1CCOC2(CCC2)C1.
What is the InChIKey of (2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is WDEIPCAKUOJCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-5-2-3-6-14(12)15(17)13-7-10-18-16(11-13)8-4-9-16/h2-3,5-6,13,15H,4,7-11,17H2,1H3.
What are the key properties of (2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 79915466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).