N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine

C12H17NO — CID 81373882

IUPACN-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine
SMILESCc1ccccc1[C@@H](C)NC1COC1
InChIInChI=1S/C12H17NO/c1-9-5-3-4-6-12(9)10(2)13-11-7-14-8-11/h3-6,10-11,13H,7-8H2,1-2H3/t10-/m1/s1
InChIKeyXPCPKYOFCDUYPW-SNVBAGLBSA-N
MW191.27 g/mol
LogP2.04
Rot. Bonds3

About N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine

N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine (PubChem CID 81373882) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine
PubChem CID81373882
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine
SMILESCc1ccccc1[C@@H](C)NC1COC1
InChIInChI=1S/C12H17NO/c1-9-5-3-4-6-12(9)10(2)13-11-7-14-8-11/h3-6,10-11,13H,7-8H2,1-2H3/t10-/m1/s1
InChIKeyXPCPKYOFCDUYPW-SNVBAGLBSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300
N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373739
N-[1-(4-methyl-3-pyridinyl)ethyl]oxetan-3-amine
CID 130709602
4-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081539
4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373520
3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 81374284
N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 81375684
9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472551
4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 113414416
N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28652659
2-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropan-1-amine
CID 62397879
N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 81374208

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine?
The IUPAC name of N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine (CID 81373882) is N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine.
What is the SMILES notation for N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine?
The canonical SMILES for N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine is Cc1ccccc1[C@@H](C)NC1COC1.
What is the InChIKey of N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine?
The InChIKey is XPCPKYOFCDUYPW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-5-3-4-6-12(9)10(2)13-11-7-14-8-11/h3-6,10-11,13H,7-8H2,1-2H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine?
N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine has a molecular weight of 191.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine is sourced from PubChem (CID 81373882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).