[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine

C11H14ClNO2 — CID 63558607

IUPAC[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1OC1CCOC1
InChIInChI=1S/C11H14ClNO2/c12-9-1-2-11(8(5-9)6-13)15-10-3-4-14-7-10/h1-2,5,10H,3-4,6-7,13H2
InChIKeyJJMMPZBLLQJALQ-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.97
Rot. Bonds3

About [5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine

[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine (PubChem CID 63558607) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is [5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine
PubChem CID63558607
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1OC1CCOC1
InChIInChI=1S/C11H14ClNO2/c12-9-1-2-11(8(5-9)6-13)15-10-3-4-14-7-10/h1-2,5,10H,3-4,6-7,13H2
InChIKeyJJMMPZBLLQJALQ-UHFFFAOYSA-N
XLogP1.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63673157
[5-chloro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899571
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005382
[5-methyl-2-(oxan-4-yloxy)phenyl]methanamine
CID 63936820
5-chloro-2-(oxan-3-yloxy)aniline
CID 107134074
2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79908194
4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine
CID 117387894
[4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 63081811
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005383
2-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 54931099
5-chloro-2-(oxolan-3-yloxymethyl)aniline
CID 63557218
2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine
CID 143034204

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine (CID 63558607) is [5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine is NCc1cc(Cl)ccc1OC1CCOC1.
What is the InChIKey of [5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine?
The InChIKey is JJMMPZBLLQJALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-9-1-2-11(8(5-9)6-13)15-10-3-4-14-7-10/h1-2,5,10H,3-4,6-7,13H2.
What are the key properties of [5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine?
[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine has a molecular weight of 227.69 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine is sourced from PubChem (CID 63558607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).