2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine

C16H25NO2 — CID 102608263

IUPAC2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(COC2COC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-8-17-9-13(2)15-6-4-14(5-7-15)10-19-16-11-18-12-16/h4-7,13,16-17H,3,8-12H2,1-2H3
InChIKeyMRTBJGKFOHKGTE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.71
Rot. Bonds8

About 2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine

2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine (PubChem CID 102608263) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine
PubChem CID102608263
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(COC2COC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-8-17-9-13(2)15-6-4-14(5-7-15)10-19-16-11-18-12-16/h4-7,13,16-17H,3,8-12H2,1-2H3
InChIKeyMRTBJGKFOHKGTE-UHFFFAOYSA-N
XLogP2.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine
CID 102608238
N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine
CID 105350924
2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349891
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349722
2-[4-(pentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105350017
2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349742
N-propyl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
CID 105351075
N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine
CID 105346894
2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349096
2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine
CID 105348988
N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine
CID 105348984

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine (CID 102608263) is 2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine is CCCNCC(C)c1ccc(COC2COC2)cc1.
What is the InChIKey of 2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine?
The InChIKey is MRTBJGKFOHKGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-8-17-9-13(2)15-6-4-14(5-7-15)10-19-16-11-18-12-16/h4-7,13,16-17H,3,8-12H2,1-2H3.
What are the key properties of 2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine?
2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 102608263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).