[5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine

C13H18ClNO2 — CID 143092721

IUPAC[5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine
SMILESNCC1CCC(COc2ccc(Cl)cc2)CO1
InChIInChI=1S/C13H18ClNO2/c14-11-2-5-12(6-3-11)16-8-10-1-4-13(7-15)17-9-10/h2-3,5-6,10,13H,1,4,7-9,15H2
InChIKeyURXMONKOEPHQED-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.47
Rot. Bonds4

About [5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine

[5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine (PubChem CID 143092721) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is [5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine
PubChem CID143092721
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name[5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine
SMILESNCC1CCC(COc2ccc(Cl)cc2)CO1
InChIInChI=1S/C13H18ClNO2/c14-11-2-5-12(6-3-11)16-8-10-1-4-13(7-15)17-9-10/h2-3,5-6,10,13H,1,4,7-9,15H2
InChIKeyURXMONKOEPHQED-UHFFFAOYSA-N
XLogP2.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine
CID 129389570
[(3R,6S)-6-[(4-fluorophenoxy)methyl]oxan-3-yl]methanamine
CID 69476160
[6-(phenoxymethyl)oxan-3-yl]methanamine
CID 58923660
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
1-chloro-4-(cyclopropylmethoxymethoxy)benzene
CID 106931199
1-chloro-4-[2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]ethynyl]benzene
CID 67933657
4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine
CID 10381019
2-[(4-chlorophenoxy)methyl]morpholine
CID 19964403
cyclopropylmethyl 4-(oxiran-2-ylmethoxy)benzoate
CID 159138590
2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
CID 130693986
2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane
CID 59790958
4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68715792

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine?
The IUPAC name of [5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine (CID 143092721) is [5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine.
What is the SMILES notation for [5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine?
The canonical SMILES for [5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine is NCC1CCC(COc2ccc(Cl)cc2)CO1.
What is the InChIKey of [5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine?
The InChIKey is URXMONKOEPHQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-11-2-5-12(6-3-11)16-8-10-1-4-13(7-15)17-9-10/h2-3,5-6,10,13H,1,4,7-9,15H2.
What are the key properties of [5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine?
[5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine has a molecular weight of 255.75 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chlorophenoxy)methyl]oxan-2-yl]methanamine is sourced from PubChem (CID 143092721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).