[4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine

C12H16ClNO2 — CID 63081811

IUPAC[4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(Cl)cc1OCC1CCOC1
InChIInChI=1S/C12H16ClNO2/c13-11-2-1-10(6-14)12(5-11)16-8-9-3-4-15-7-9/h1-2,5,9H,3-4,6-8,14H2
InChIKeyMWUVZSCYPLGPFC-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.21
Rot. Bonds4

About [4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine

[4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine (PubChem CID 63081811) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is [4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine
PubChem CID63081811
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name[4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(Cl)cc1OCC1CCOC1
InChIInChI=1S/C12H16ClNO2/c13-11-2-1-10(6-14)12(5-11)16-8-9-3-4-15-7-9/h1-2,5,9H,3-4,6-8,14H2
InChIKeyMWUVZSCYPLGPFC-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977200
1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 55030981
[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine
CID 114928548
3-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]oxolane
CID 54976947
2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977002
N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
CID 120706793
[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63558607
3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
CID 64853732
2-chloro-6-(oxolan-3-ylmethoxy)aniline
CID 104835038
[1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120708475
5-chloro-2-(oxolan-3-ylmethoxy)pyridine
CID 66234571
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine?
The IUPAC name of [4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine (CID 63081811) is [4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine is NCc1ccc(Cl)cc1OCC1CCOC1.
What is the InChIKey of [4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine?
The InChIKey is MWUVZSCYPLGPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-11-2-1-10(6-14)12(5-11)16-8-9-3-4-15-7-9/h1-2,5,9H,3-4,6-8,14H2.
What are the key properties of [4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine?
[4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine has a molecular weight of 241.72 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 63081811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).