[3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine

C15H23NO2 — CID 116930480

IUPAC[3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
SMILESCOc1ccc(CC2(CN)COC2)cc1C(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)13-6-12(4-5-14(13)17-3)7-15(8-16)9-18-10-15/h4-6,11H,7-10,16H2,1-3H3
InChIKeyIJCHVMZWBLEDSA-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.34
Rot. Bonds5

About [3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine

[3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine (PubChem CID 116930480) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
PubChem CID116930480
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
SMILESCOc1ccc(CC2(CN)COC2)cc1C(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)13-6-12(4-5-14(13)17-3)7-15(8-16)9-18-10-15/h4-6,11H,7-10,16H2,1-3H3
InChIKeyIJCHVMZWBLEDSA-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930450
2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine
CID 94768384
[1-[(4-methoxy-3-methylphenyl)methyl]cyclopropyl]methanamine
CID 82283087
[3-[(4-methylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930448
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
[3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine
CID 116930487
2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol
CID 83926807
2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
CID 82126770
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115249490
[3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine
CID 116944913
2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83926810
[3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930532

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine?
The IUPAC name of [3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine (CID 116930480) is [3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine.
What is the SMILES notation for [3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine?
The canonical SMILES for [3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine is COc1ccc(CC2(CN)COC2)cc1C(C)C.
What is the InChIKey of [3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine?
The InChIKey is IJCHVMZWBLEDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)13-6-12(4-5-14(13)17-3)7-15(8-16)9-18-10-15/h4-6,11H,7-10,16H2,1-3H3.
What are the key properties of [3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine?
[3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine is sourced from PubChem (CID 116930480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).