[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine

C13H18ClNO2 — CID 112607668

IUPAC[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine
SMILESNCc1cccc(Cl)c1OCCC1CCCO1
InChIInChI=1S/C13H18ClNO2/c14-12-5-1-3-10(9-15)13(12)17-8-6-11-4-2-7-16-11/h1,3,5,11H,2,4,6-9,15H2
InChIKeyWFGLYSRIGGMXNL-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.75
Rot. Bonds5

About [3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine

[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine (PubChem CID 112607668) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is [3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine
PubChem CID112607668
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine
SMILESNCc1cccc(Cl)c1OCCC1CCCO1
InChIInChI=1S/C13H18ClNO2/c14-12-5-1-3-10(9-15)13(12)17-8-6-11-4-2-7-16-11/h1,3,5,11H,2,4,6-9,15H2
InChIKeyWFGLYSRIGGMXNL-UHFFFAOYSA-N
XLogP2.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 107716147
N-[[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 115953760
[3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
CID 112612609
2-[3-[2-(bromomethyl)-6-chlorophenoxy]propyl]oxolane
CID 112613783
[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
CID 65158689
2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane
CID 112613659
3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline
CID 65159099
[3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65162888
3-bromo-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 81499922
3-fluoro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 104831301
3-chloro-2-(oxolan-2-ylmethoxy)aniline
CID 43187374
2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 112615284

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine (CID 112607668) is [3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine is NCc1cccc(Cl)c1OCCC1CCCO1.
What is the InChIKey of [3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine?
The InChIKey is WFGLYSRIGGMXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-12-5-1-3-10(9-15)13(12)17-8-6-11-4-2-7-16-11/h1,3,5,11H,2,4,6-9,15H2.
What are the key properties of [3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine?
[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine has a molecular weight of 255.74 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 112607668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).