[4-(3-phenylpropyl)oxan-4-yl]methanamine

C15H23NO — CID 62906769

IUPAC[4-(3-phenylpropyl)oxan-4-yl]methanamine
SMILESNCC1(CCCc2ccccc2)CCOCC1
InChIInChI=1S/C15H23NO/c16-13-15(9-11-17-12-10-15)8-4-7-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13,16H2
InChIKeyRHHYTLDVENERGX-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.76
Rot. Bonds5

About [4-(3-phenylpropyl)oxan-4-yl]methanamine

[4-(3-phenylpropyl)oxan-4-yl]methanamine (PubChem CID 62906769) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [4-(3-phenylpropyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(3-phenylpropyl)oxan-4-yl]methanamine
PubChem CID62906769
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[4-(3-phenylpropyl)oxan-4-yl]methanamine
SMILESNCC1(CCCc2ccccc2)CCOCC1
InChIInChI=1S/C15H23NO/c16-13-15(9-11-17-12-10-15)8-4-7-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13,16H2
InChIKeyRHHYTLDVENERGX-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-phenylethyl)oxan-4-yl]methanamine
CID 83822239
2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine
CID 62906628
2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine
CID 62719041
3-phenylpropyl 4-(aminomethyl)oxane-4-carboxylate
CID 115440250
[4-(2-phenylethoxy)oxan-4-yl]methanamine
CID 65051705
N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide
CID 18614335
1-(4-aminooxan-4-yl)-4-phenylbutan-1-one
CID 116604543
3-(3-phenylpropyl)oxolane-3-carboxylic acid
CID 62738542
4-benzyl-4-(chloromethyl)oxane
CID 66033304
[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 62264134
[1-(3-phenoxypropyl)cyclopropyl]methanamine
CID 66026187
[4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol
CID 66024369

Frequently Asked Questions

What is the IUPAC name of [4-(3-phenylpropyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(3-phenylpropyl)oxan-4-yl]methanamine (CID 62906769) is [4-(3-phenylpropyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(3-phenylpropyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(3-phenylpropyl)oxan-4-yl]methanamine is NCC1(CCCc2ccccc2)CCOCC1.
What is the InChIKey of [4-(3-phenylpropyl)oxan-4-yl]methanamine?
The InChIKey is RHHYTLDVENERGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c16-13-15(9-11-17-12-10-15)8-4-7-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13,16H2.
What are the key properties of [4-(3-phenylpropyl)oxan-4-yl]methanamine?
[4-(3-phenylpropyl)oxan-4-yl]methanamine has a molecular weight of 233.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenylpropyl)oxan-4-yl]methanamine is sourced from PubChem (CID 62906769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).