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

C16H23NO — CID 79914518

IUPAC(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCc1cccc(C(N)C2CCOC3(CCC3)C2)c1
InChIInChI=1S/C16H23NO/c1-12-4-2-5-13(10-12)15(17)14-6-9-18-16(11-14)7-3-8-16/h2,4-5,10,14-15H,3,6-9,11,17H2,1H3
InChIKeyNDHRNOCSDSDWRN-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.34
Rot. Bonds2

About (3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 79914518) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID79914518
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCc1cccc(C(N)C2CCOC3(CCC3)C2)c1
InChIInChI=1S/C16H23NO/c1-12-4-2-5-13(10-12)15(17)14-6-9-18-16(11-14)7-3-8-16/h2,4-5,10,14-15H,3,6-9,11,17H2,1H3
InChIKeyNDHRNOCSDSDWRN-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

(3-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79914241
(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
5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine
CID 105010167
(3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010165
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81492336
(2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010181
(3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79906909
(4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914757
(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016729
2,3-dihydro-1,4-benzodioxin-6-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010101
(3-chloro-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016187

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of (3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 79914518) is (3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for (3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for (3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is Cc1cccc(C(N)C2CCOC3(CCC3)C2)c1.
What is the InChIKey of (3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is NDHRNOCSDSDWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-4-2-5-13(10-12)15(17)14-6-9-18-16(11-14)7-3-8-16/h2,4-5,10,14-15H,3,6-9,11,17H2,1H3.
What are the key properties of (3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
(3-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 (3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 79914518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).