[2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine

C13H19NO — CID 105458006

IUPAC[2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine
SMILESCc1ccccc1C1(C)OCCC1CN
InChIInChI=1S/C13H19NO/c1-10-5-3-4-6-12(10)13(2)11(9-14)7-8-15-13/h3-6,11H,7-9,14H2,1-2H3
InChIKeyNLKHPXMFUOBQLQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.21
Rot. Bonds2

About [2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine

[2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine (PubChem CID 105458006) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine
PubChem CID105458006
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine
SMILESCc1ccccc1C1(C)OCCC1CN
InChIInChI=1S/C13H19NO/c1-10-5-3-4-6-12(10)13(2)11(9-14)7-8-15-13/h3-6,11H,7-9,14H2,1-2H3
InChIKeyNLKHPXMFUOBQLQ-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine
CID 105458004
[2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine
CID 54775976
(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
N-methyl-1-[2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine
CID 54775982
(5,9-dimethyl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
CID 82241430
(8-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
CID 115057180
[(1R)-2-(2-methoxyphenyl)-2-methylcyclopropyl]methanamine
CID 105445462
[2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine
CID 65002721
1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene
CID 102395819
[2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine
CID 82777435
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol
CID 79127580
1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene
CID 88722468

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine?
The IUPAC name of [2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine (CID 105458006) is [2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine?
The canonical SMILES for [2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine is Cc1ccccc1C1(C)OCCC1CN.
What is the InChIKey of [2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine?
The InChIKey is NLKHPXMFUOBQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-5-3-4-6-12(10)13(2)11(9-14)7-8-15-13/h3-6,11H,7-9,14H2,1-2H3.
What are the key properties of [2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine?
[2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 105458006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).