[3-(4-propylphenyl)oxetan-3-yl]methanamine

C13H19NO — CID 116829594

IUPAC[3-(4-propylphenyl)oxetan-3-yl]methanamine
SMILESCCCc1ccc(C2(CN)COC2)cc1
InChIInChI=1S/C13H19NO/c1-2-3-11-4-6-12(7-5-11)13(8-14)9-15-10-13/h4-7H,2-3,8-10,14H2,1H3
InChIKeyPDTALQQGCKLQCZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.87
Rot. Bonds4

About [3-(4-propylphenyl)oxetan-3-yl]methanamine

[3-(4-propylphenyl)oxetan-3-yl]methanamine (PubChem CID 116829594) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [3-(4-propylphenyl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-propylphenyl)oxetan-3-yl]methanamine
PubChem CID116829594
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[3-(4-propylphenyl)oxetan-3-yl]methanamine
SMILESCCCc1ccc(C2(CN)COC2)cc1
InChIInChI=1S/C13H19NO/c1-2-3-11-4-6-12(7-5-11)13(8-14)9-15-10-13/h4-7H,2-3,8-10,14H2,1H3
InChIKeyPDTALQQGCKLQCZ-UHFFFAOYSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-propylphenyl)cyclohexyl]methanamine
CID 82495619
1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one
CID 116873804
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-propylphenyl)methanamine
CID 115249403
(3-pyridin-4-yloxetan-3-yl)methanamine
CID 83480468
[3-[3-(4-propylphenyl)oxetan-3-yl]oxetan-3-yl]methanol
CID 116875139
1-(4-propylphenyl)cyclopropan-1-amine
CID 82280519
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine
CID 116913035
2-amino-5-[3-(aminomethyl)oxetan-3-yl]benzenethiol
CID 116994287
3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane
CID 101228583
3-[3-(4-propylphenyl)oxetan-3-yl]morpholine
CID 116874053
1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063

Frequently Asked Questions

What is the IUPAC name of [3-(4-propylphenyl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(4-propylphenyl)oxetan-3-yl]methanamine (CID 116829594) is [3-(4-propylphenyl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(4-propylphenyl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(4-propylphenyl)oxetan-3-yl]methanamine is CCCc1ccc(C2(CN)COC2)cc1.
What is the InChIKey of [3-(4-propylphenyl)oxetan-3-yl]methanamine?
The InChIKey is PDTALQQGCKLQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-3-11-4-6-12(7-5-11)13(8-14)9-15-10-13/h4-7H,2-3,8-10,14H2,1H3.
What are the key properties of [3-(4-propylphenyl)oxetan-3-yl]methanamine?
[3-(4-propylphenyl)oxetan-3-yl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propylphenyl)oxetan-3-yl]methanamine is sourced from PubChem (CID 116829594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).