[3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine

C15H23NO — CID 116930532

IUPAC[3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
SMILESCc1ccc(C(C)C)cc1CC1(CN)COC1
InChIInChI=1S/C15H23NO/c1-11(2)13-5-4-12(3)14(6-13)7-15(8-16)9-17-10-15/h4-6,11H,7-10,16H2,1-3H3
InChIKeyCWSLCTMBACNDJE-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.64
Rot. Bonds4

About [3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine

[3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine (PubChem CID 116930532) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is [3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
PubChem CID116930532
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name[3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
SMILESCc1ccc(C(C)C)cc1CC1(CN)COC1
InChIInChI=1S/C15H23NO/c1-11(2)13-5-4-12(3)14(6-13)7-15(8-16)9-17-10-15/h4-6,11H,7-10,16H2,1-3H3
InChIKeyCWSLCTMBACNDJE-UHFFFAOYSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930450
1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117292095
4-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 96657410
(2-methyl-5-propan-2-ylphenyl)methanethiol
CID 21131530
[1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine
CID 62725292
[3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930480
4-[3-(2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]butan-2-amine
CID 116870342
[3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine
CID 116930487
[3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine
CID 116930588
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(5-bromo-2-methylphenyl)ethanamine
CID 115249579
1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256942
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 117044047

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine?
The IUPAC name of [3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine (CID 116930532) is [3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine.
What is the SMILES notation for [3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine?
The canonical SMILES for [3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine is Cc1ccc(C(C)C)cc1CC1(CN)COC1.
What is the InChIKey of [3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine?
The InChIKey is CWSLCTMBACNDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)13-5-4-12(3)14(6-13)7-15(8-16)9-17-10-15/h4-6,11H,7-10,16H2,1-3H3.
What are the key properties of [3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine?
[3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine is sourced from PubChem (CID 116930532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).