2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine

C13H18ClNO — CID 82084431

IUPAC2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine
SMILESNCCC1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C13H18ClNO/c14-12-4-2-1-3-11(12)13(5-8-15)6-9-16-10-7-13/h1-4H,5-10,15H2
InChIKeyVXVNBYMRAVPCQA-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.74
Rot. Bonds3

About 2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine

2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine (PubChem CID 82084431) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine
PubChem CID82084431
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine
SMILESNCCC1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C13H18ClNO/c14-12-4-2-1-3-11(12)13(5-8-15)6-9-16-10-7-13/h1-4H,5-10,15H2
InChIKeyVXVNBYMRAVPCQA-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-yl]methanamine
CID 65006500
2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine
CID 83820638
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119320209
[1-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride
CID 46736468
4-(2-chlorophenyl)oxan-4-ol
CID 63220219
2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine
CID 83822203
2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-amine
CID 65006357
2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine
CID 83822618
N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111805279
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]thian-4-amine
CID 119124486
2-[1-(2-fluorophenyl)cyclohexyl]ethanamine
CID 82080099
2-(4-thiophen-2-yloxan-4-yl)ethanamine
CID 83820999

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine?
The IUPAC name of 2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine (CID 82084431) is 2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine?
The canonical SMILES for 2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine is NCCC1(c2ccccc2Cl)CCOCC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine?
The InChIKey is VXVNBYMRAVPCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-12-4-2-1-3-11(12)13(5-8-15)6-9-16-10-7-13/h1-4H,5-10,15H2.
What are the key properties of 2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine?
2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine has a molecular weight of 239.75 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine is sourced from PubChem (CID 82084431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).