2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine

C18H27NO2 — CID 63083238

IUPAC2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine
SMILESNC(CC1CCOCC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C18H27NO2/c19-17(14-15-6-10-20-11-7-15)18(8-12-21-13-9-18)16-4-2-1-3-5-16/h1-5,15,17H,6-14,19H2
InChIKeyHJWNRGMOUXDJLB-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.88
Rot. Bonds4

About 2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine

2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine (PubChem CID 63083238) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine
PubChem CID63083238
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine
SMILESNC(CC1CCOCC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C18H27NO2/c19-17(14-15-6-10-20-11-7-15)18(8-12-21-13-9-18)16-4-2-1-3-5-16/h1-5,15,17H,6-14,19H2
InChIKeyHJWNRGMOUXDJLB-UHFFFAOYSA-N
XLogP2.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-(4-phenyloxan-4-yl)ethanamine
CID 79575662
1-(oxan-4-yl)-3-phenylpropan-2-amine
CID 62606455
oxan-4-yl-(1-phenylcyclobutyl)methanol
CID 63936880
2-methoxy-1-(4-phenyloxan-4-yl)ethanol
CID 79566371
(2-methylphenyl)-(4-phenyloxan-4-yl)methanamine
CID 63081175
1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine
CID 115846609
N-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine
CID 63935895
1-[1-amino-2-(oxan-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79080920
3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine
CID 102647412
[oxolan-3-yl-(1-phenylcyclopentyl)methyl]hydrazine
CID 105217442
N-ethyl-2-methyl-1-(4-phenyloxan-4-yl)butan-1-amine
CID 79446507
3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol
CID 63084011

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine?
The IUPAC name of 2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine (CID 63083238) is 2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine.
What is the SMILES notation for 2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine?
The canonical SMILES for 2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine is NC(CC1CCOCC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine?
The InChIKey is HJWNRGMOUXDJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c19-17(14-15-6-10-20-11-7-15)18(8-12-21-13-9-18)16-4-2-1-3-5-16/h1-5,15,17H,6-14,19H2.
What are the key properties of 2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine?
2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine has a molecular weight of 289.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine is sourced from PubChem (CID 63083238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).