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

C14H21NO — CID 116930450

IUPAC[3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
SMILESCC(C)c1ccc(CC2(CN)COC2)cc1
InChIInChI=1S/C14H21NO/c1-11(2)13-5-3-12(4-6-13)7-14(8-15)9-16-10-14/h3-6,11H,7-10,15H2,1-2H3
InChIKeyLSFFRCXUZKHHLL-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.33
Rot. Bonds4

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

[3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine (PubChem CID 116930450) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
PubChem CID116930450
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
SMILESCC(C)c1ccc(CC2(CN)COC2)cc1
InChIInChI=1S/C14H21NO/c1-11(2)13-5-3-12(4-6-13)7-14(8-15)9-16-10-14/h3-6,11H,7-10,15H2,1-2H3
InChIKeyLSFFRCXUZKHHLL-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2-methyl-5-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930532
[3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930480
3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine
CID 65019826
3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane
CID 139997866
1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene
CID 153389368
[1-[(4-propan-2-ylphenyl)methyl]cyclopentyl]methanol
CID 66026116
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 115245756
3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methyl]phenyl]phenyl]methyl]oxetane
CID 130476683
[1-[(4-propan-2-ylphenyl)methyl]cyclohexyl]methanol
CID 66024781
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115244371
N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66025103
[1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine
CID 116928971

Frequently Asked Questions

What is the IUPAC name of [3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine?
The IUPAC name of [3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine (CID 116930450) is [3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine.
What is the SMILES notation for [3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine?
The canonical SMILES for [3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine is CC(C)c1ccc(CC2(CN)COC2)cc1.
What is the InChIKey of [3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine?
The InChIKey is LSFFRCXUZKHHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)13-5-3-12(4-6-13)7-14(8-15)9-16-10-14/h3-6,11H,7-10,15H2,1-2H3.
What are the key properties of [3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine?
[3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine is sourced from PubChem (CID 116930450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).