N-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine

C17H27NO — CID 79368723

IUPACN-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCOC1CC(C)c1ccccc1
InChIInChI=1S/C17H27NO/c1-3-10-18-13-16-9-11-19-17(16)12-14(2)15-7-5-4-6-8-15/h4-8,14,16-18H,3,9-13H2,1-2H3
InChIKeyGUIXLHCDEZQMNP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.58
Rot. Bonds7

About N-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine

N-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 79368723) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID79368723
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCOC1CC(C)c1ccccc1
InChIInChI=1S/C17H27NO/c1-3-10-18-13-16-9-11-19-17(16)12-14(2)15-7-5-4-6-8-15/h4-8,14,16-18H,3,9-13H2,1-2H3
InChIKeyGUIXLHCDEZQMNP-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine
CID 79365896
N-[(2-methyloxolan-3-yl)methyl]-3-phenylbutan-1-amine
CID 114104984
N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
CID 115530338
2-(2-phenylpropyl)oxolane-3-carboxylic acid
CID 79368306
N-[(2-benzyloxolan-3-yl)methyl]ethanamine
CID 79368716
N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79368626
N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79978075
N-[[2-(4-bromophenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79367591
N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine
CID 62986615
N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
CID 79367501
N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine
CID 106534593
N-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine
CID 79370079

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine (CID 79368723) is N-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine is CCCNCC1CCOC1CC(C)c1ccccc1.
What is the InChIKey of N-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is GUIXLHCDEZQMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-10-18-13-16-9-11-19-17(16)12-14(2)15-7-5-4-6-8-15/h4-8,14,16-18H,3,9-13H2,1-2H3.
What are the key properties of N-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine?
N-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 79368723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).