[5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine

C13H18ClNO3 — CID 104664075

IUPAC[5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine
SMILESCOc1cc(Cl)cc(CN)c1OC1CCOCC1
InChIInChI=1S/C13H18ClNO3/c1-16-12-7-10(14)6-9(8-15)13(12)18-11-2-4-17-5-3-11/h6-7,11H,2-5,8,15H2,1H3
InChIKeyRUDWCEBGJDAQHE-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.37
Rot. Bonds4

About [5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine

[5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine (PubChem CID 104664075) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is [5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine
PubChem CID104664075
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name[5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine
SMILESCOc1cc(Cl)cc(CN)c1OC1CCOCC1
InChIInChI=1S/C13H18ClNO3/c1-16-12-7-10(14)6-9(8-15)13(12)18-11-2-4-17-5-3-11/h6-7,11H,2-5,8,15H2,1H3
InChIKeyRUDWCEBGJDAQHE-UHFFFAOYSA-N
XLogP2.37
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-5-methoxy-4-(oxan-4-yloxy)phenyl]methanamine
CID 63937215
N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 104664869
O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 117397784
[3-chloro-5-methoxy-4-(oxolan-3-yloxy)phenyl]methanamine
CID 63556548
(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117495921
1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine
CID 117432330
2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine
CID 117430106
(3,5-dichloro-2-cyclohexyloxyphenyl)methanamine
CID 43515648
(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine
CID 104664304
2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid
CID 117498947
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
CID 117495714
[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63558607

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine?
The IUPAC name of [5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine (CID 104664075) is [5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine.
What is the SMILES notation for [5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine?
The canonical SMILES for [5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine is COc1cc(Cl)cc(CN)c1OC1CCOCC1.
What is the InChIKey of [5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine?
The InChIKey is RUDWCEBGJDAQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-16-12-7-10(14)6-9(8-15)13(12)18-11-2-4-17-5-3-11/h6-7,11H,2-5,8,15H2,1H3.
What are the key properties of [5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine?
[5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine has a molecular weight of 271.74 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine is sourced from PubChem (CID 104664075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).