N-(2-methylphenyl)oxetan-3-amine

C10H13NO — CID 63624753

IUPACN-(2-methylphenyl)oxetan-3-amine
SMILESCc1ccccc1NC1COC1
InChIInChI=1S/C10H13NO/c1-8-4-2-3-5-10(8)11-9-6-12-7-9/h2-5,9,11H,6-7H2,1H3
InChIKeyCYDMUXRNTXZMPY-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.81
Rot. Bonds2

About N-(2-methylphenyl)oxetan-3-amine

N-(2-methylphenyl)oxetan-3-amine (PubChem CID 63624753) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-(2-methylphenyl)oxetan-3-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)oxetan-3-amine
PubChem CID63624753
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-(2-methylphenyl)oxetan-3-amine
SMILESCc1ccccc1NC1COC1
InChIInChI=1S/C10H13NO/c1-8-4-2-3-5-10(8)11-9-6-12-7-9/h2-5,9,11H,6-7H2,1H3
InChIKeyCYDMUXRNTXZMPY-UHFFFAOYSA-N
XLogP1.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylanilino)oxolan-3-ol
CID 60901507
2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43634045
N-(2-methylphenyl)pyrrolidin-3-amine
CID 79725314
N-(2-chloro-6-methylphenyl)oxetan-3-amine
CID 66252135
(3R)-3-(2-methylanilino)cyclopentan-1-one
CID 124706751
ethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine
CID 54240879
N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43766112
1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine
CID 62976686
N-(2-fluoro-4-methylphenyl)oxetan-3-amine
CID 63622533
N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine
CID 81373882
2-methyl-N-(2-methylphenyl)oxolan-3-amine
CID 75525382
5,5-dimethyl-N-(2-methylphenyl)thian-3-amine
CID 79956043

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)oxetan-3-amine?
The IUPAC name of N-(2-methylphenyl)oxetan-3-amine (CID 63624753) is N-(2-methylphenyl)oxetan-3-amine.
What is the SMILES notation for N-(2-methylphenyl)oxetan-3-amine?
The canonical SMILES for N-(2-methylphenyl)oxetan-3-amine is Cc1ccccc1NC1COC1.
What is the InChIKey of N-(2-methylphenyl)oxetan-3-amine?
The InChIKey is CYDMUXRNTXZMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-4-2-3-5-10(8)11-9-6-12-7-9/h2-5,9,11H,6-7H2,1H3.
What are the key properties of N-(2-methylphenyl)oxetan-3-amine?
N-(2-methylphenyl)oxetan-3-amine has a molecular weight of 163.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)oxetan-3-amine is sourced from PubChem (CID 63624753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).