[2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine

C13H19NO — CID 105458004

IUPAC[2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine
SMILESCc1ccc(C2(C)OCCC2CN)cc1
InChIInChI=1S/C13H19NO/c1-10-3-5-11(6-4-10)13(2)12(9-14)7-8-15-13/h3-6,12H,7-9,14H2,1-2H3
InChIKeyWBULWCMGOCJFOT-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.21
Rot. Bonds2

About [2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine

[2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine (PubChem CID 105458004) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine
PubChem CID105458004
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine
SMILESCc1ccc(C2(C)OCCC2CN)cc1
InChIInChI=1S/C13H19NO/c1-10-3-5-11(6-4-10)13(2)12(9-14)7-8-15-13/h3-6,12H,7-9,14H2,1-2H3
InChIKeyWBULWCMGOCJFOT-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

Analyze [2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine
CID 105458006
(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propan-1-amine
CID 751685
(4R)-4-iodo-2-methyl-2-(4-methylphenyl)oxane
CID 101398693
methyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 90071602
4-(3-amino-2-methyloxan-2-yl)phenol
CID 15643838
(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 45264881
2,2-bis(4-methylphenyl)oxirane
CID 12692604
(7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
CID 115057247
(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 45264880
1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene
CID 140825666
(2-cyclohexyl-2-methyloxolan-3-yl)methanamine
CID 105451085
[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]azanium
CID 6936972

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine?
The IUPAC name of [2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine (CID 105458004) is [2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine?
The canonical SMILES for [2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine is Cc1ccc(C2(C)OCCC2CN)cc1.
What is the InChIKey of [2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine?
The InChIKey is WBULWCMGOCJFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-3-5-11(6-4-10)13(2)12(9-14)7-8-15-13/h3-6,12H,7-9,14H2,1-2H3.
What are the key properties of [2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine?
[2-methyl-2-(4-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-(4-methylphenyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 105458004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).