4-[(3-methylphenyl)methyl]oxolan-3-amine

C12H17NO — CID 83484011

IUPAC4-[(3-methylphenyl)methyl]oxolan-3-amine
SMILESCc1cccc(CC2COCC2N)c1
InChIInChI=1S/C12H17NO/c1-9-3-2-4-10(5-9)6-11-7-14-8-12(11)13/h2-5,11-12H,6-8,13H2,1H3
InChIKeyWSSAIJBDXLPITR-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.51
Rot. Bonds2

About 4-[(3-methylphenyl)methyl]oxolan-3-amine

4-[(3-methylphenyl)methyl]oxolan-3-amine (PubChem CID 83484011) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(3-methylphenyl)methyl]oxolan-3-amine
PubChem CID83484011
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-[(3-methylphenyl)methyl]oxolan-3-amine
SMILESCc1cccc(CC2COCC2N)c1
InChIInChI=1S/C12H17NO/c1-9-3-2-4-10(5-9)6-11-7-14-8-12(11)13/h2-5,11-12H,6-8,13H2,1H3
InChIKeyWSSAIJBDXLPITR-UHFFFAOYSA-N
XLogP1.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 81010967
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine
CID 110292405
3-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 64504844
N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide
CID 135091024
(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine
CID 139599729
1-methyl-3-[(3-methylcyclopentyl)methyl]benzene
CID 123940135
[5-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061563
1-ethyl-3-methylbenzene;methanamine
CID 167447790
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
2-[3-(3-methylphenyl)propyl]oxirane
CID 10931973
1-[(3-methylphenyl)methylsulfonyl]piperidin-3-amine;hydrochloride
CID 119959520

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methyl]oxolan-3-amine?
The IUPAC name of 4-[(3-methylphenyl)methyl]oxolan-3-amine (CID 83484011) is 4-[(3-methylphenyl)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(3-methylphenyl)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(3-methylphenyl)methyl]oxolan-3-amine is Cc1cccc(CC2COCC2N)c1.
What is the InChIKey of 4-[(3-methylphenyl)methyl]oxolan-3-amine?
The InChIKey is WSSAIJBDXLPITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-3-2-4-10(5-9)6-11-7-14-8-12(11)13/h2-5,11-12H,6-8,13H2,1H3.
What are the key properties of 4-[(3-methylphenyl)methyl]oxolan-3-amine?
4-[(3-methylphenyl)methyl]oxolan-3-amine has a molecular weight of 191.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 83484011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).