2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine

C15H23NO — CID 115039806

IUPAC2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine
SMILESCC(c1ccccc1CCN)C1CCOCC1
InChIInChI=1S/C15H23NO/c1-12(13-7-10-17-11-8-13)15-5-3-2-4-14(15)6-9-16/h2-5,12-13H,6-11,16H2,1H3
InChIKeyXWRXBCJMVLWOKQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.72
Rot. Bonds4

About 2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine

2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine (PubChem CID 115039806) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine
PubChem CID115039806
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine
SMILESCC(c1ccccc1CCN)C1CCOCC1
InChIInChI=1S/C15H23NO/c1-12(13-7-10-17-11-8-13)15-5-3-2-4-14(15)6-9-16/h2-5,12-13H,6-11,16H2,1H3
InChIKeyXWRXBCJMVLWOKQ-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2-fluorophenyl)ethyl]oxane
CID 90399491
4-[1-(2-bromophenyl)ethyl]oxane
CID 115050138
2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine
CID 115042163
2-[2-(1-fluoro-2-methylpropyl)phenyl]ethanamine
CID 115020375
1-butyl-2-(1-cyclohexylethyl)benzene
CID 139768984
4-[1-(oxan-4-yl)ethyl]aniline
CID 115024237
2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine
CID 115029972
[2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone
CID 116577414
2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine
CID 115024262
3-[1-(2-bromophenyl)ethyl]oxolane
CID 115047473
4-[1-(2-fluorophenyl)-2-methylpropyl]oxane
CID 90383596
[2-[1-(1,1-dioxothian-3-yl)ethyl]phenyl]methanamine
CID 115049800

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine?
The IUPAC name of 2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine (CID 115039806) is 2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine?
The canonical SMILES for 2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine is CC(c1ccccc1CCN)C1CCOCC1.
What is the InChIKey of 2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine?
The InChIKey is XWRXBCJMVLWOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(13-7-10-17-11-8-13)15-5-3-2-4-14(15)6-9-16/h2-5,12-13H,6-11,16H2,1H3.
What are the key properties of 2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine?
2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine is sourced from PubChem (CID 115039806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).