2,2-diethyl-N-(1-phenylethyl)oxan-4-amine

C17H27NO — CID 83033555

IUPAC2,2-diethyl-N-(1-phenylethyl)oxan-4-amine
SMILESCCC1(CC)CC(NC(C)c2ccccc2)CCO1
InChIInChI=1S/C17H27NO/c1-4-17(5-2)13-16(11-12-19-17)18-14(3)15-9-7-6-8-10-15/h6-10,14,16,18H,4-5,11-13H2,1-3H3
InChIKeySUGOAFLBYVUQLI-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.07
Rot. Bonds5

About 2,2-diethyl-N-(1-phenylethyl)oxan-4-amine

2,2-diethyl-N-(1-phenylethyl)oxan-4-amine (PubChem CID 83033555) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2,2-diethyl-N-(1-phenylethyl)oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-(1-phenylethyl)oxan-4-amine
PubChem CID83033555
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2,2-diethyl-N-(1-phenylethyl)oxan-4-amine
SMILESCCC1(CC)CC(NC(C)c2ccccc2)CCO1
InChIInChI=1S/C17H27NO/c1-4-17(5-2)13-16(11-12-19-17)18-14(3)15-9-7-6-8-10-15/h6-10,14,16,18H,4-5,11-13H2,1-3H3
InChIKeySUGOAFLBYVUQLI-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(+/-)-threo-Ritalinol methyl ether
CID 16719668
N-benzyl-2-[2,2-diethyl-4-(4-fluorophenyl)oxan-4-yl]ethanamine
CID 72711948
(1R)-N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-phenylethanamine
CID 72711954
(1S)-N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-phenylethanamine
CID 72712149
3-Phenylmorpholine--hydrogen chloride (1/1)
CID 17749820
N-(1-phenylcyclohexyl)-3-ethoxypropanamine
CID 23584939
(2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine
CID 44441351
Benzyl-(2,2-dimethyl-tetrahydro-pyran-4-YL)-amine hydrochloride
CID 2871809
2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 2938065
3,4,5-Trimethyl-2,6-diphenylpiperidin-4-ol
CID 3142092
N-benzyl-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine
CID 68314329
2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 2937474

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-(1-phenylethyl)oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-(1-phenylethyl)oxan-4-amine (CID 83033555) is 2,2-diethyl-N-(1-phenylethyl)oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-(1-phenylethyl)oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-(1-phenylethyl)oxan-4-amine is CCC1(CC)CC(NC(C)c2ccccc2)CCO1.
What is the InChIKey of 2,2-diethyl-N-(1-phenylethyl)oxan-4-amine?
The InChIKey is SUGOAFLBYVUQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-17(5-2)13-16(11-12-19-17)18-14(3)15-9-7-6-8-10-15/h6-10,14,16,18H,4-5,11-13H2,1-3H3.
What are the key properties of 2,2-diethyl-N-(1-phenylethyl)oxan-4-amine?
2,2-diethyl-N-(1-phenylethyl)oxan-4-amine has a molecular weight of 261.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-(1-phenylethyl)oxan-4-amine is sourced from PubChem (CID 83033555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).