(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

C18H27NO — CID 105016729

IUPAC(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCc1ccc(C)c(C(N)C2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C18H27NO/c1-13-5-6-14(2)16(11-13)17(19)15-7-10-20-18(12-15)8-3-4-9-18/h5-6,11,15,17H,3-4,7-10,12,19H2,1-2H3
InChIKeyYELJRDAAIBZFRT-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.04
Rot. Bonds2

About (2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 105016729) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
PubChem CID105016729
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCc1ccc(C)c(C(N)C2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C18H27NO/c1-13-5-6-14(2)16(11-13)17(19)15-7-10-20-18(12-15)8-3-4-9-18/h5-6,11,15,17H,3-4,7-10,12,19H2,1-2H3
InChIKeyYELJRDAAIBZFRT-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016287
(2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010181
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
[(2,5-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322196
(2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016664
(2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010015
(2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104789677
(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914518
(3-chloro-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016187
(4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914757
(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 (2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of (2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (CID 105016729) is (2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for (2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for (2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is Cc1ccc(C)c(C(N)C2CCOC3(CCCC3)C2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is YELJRDAAIBZFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-5-6-14(2)16(11-13)17(19)15-7-10-20-18(12-15)8-3-4-9-18/h5-6,11,15,17H,3-4,7-10,12,19H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 273.42 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 105016729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).