2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine

C13H18ClNO — CID 83824748

IUPAC2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine
SMILESCc1cc(Cl)ccc1C1(CCN)CCOC1
InChIInChI=1S/C13H18ClNO/c1-10-8-11(14)2-3-12(10)13(4-6-15)5-7-16-9-13/h2-3,8H,4-7,9,15H2,1H3
InChIKeyAFGFJAMLISGCSG-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.66
Rot. Bonds3

About 2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine

2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine (PubChem CID 83824748) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine
PubChem CID83824748
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine
SMILESCc1cc(Cl)ccc1C1(CCN)CCOC1
InChIInChI=1S/C13H18ClNO/c1-10-8-11(14)2-3-12(10)13(4-6-15)5-7-16-9-13/h2-3,8H,4-7,9,15H2,1H3
InChIKeyAFGFJAMLISGCSG-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-chloro-2-methylphenyl)oxan-4-yl]methanamine
CID 83824742
2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine
CID 83820638
2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine
CID 83822203
2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine
CID 83822618
2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine
CID 82084431
2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid
CID 84789847
[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine
CID 116829642
1-[4-(2,4-dimethylphenyl)oxan-4-yl]-N-methylmethanamine
CID 82475681
[3-(3-methyl-2-pyridinyl)oxolan-3-yl]methanamine
CID 130544814
2-[4-(6-methyl-3-pyridinyl)oxan-4-yl]ethanamine
CID 83822430
2-(3-phenyloxan-3-yl)ethanamine
CID 83819944
3-(4-chloro-2-methylphenyl)azetidin-3-amine
CID 166608774

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine?
The IUPAC name of 2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine (CID 83824748) is 2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine?
The canonical SMILES for 2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine is Cc1cc(Cl)ccc1C1(CCN)CCOC1.
What is the InChIKey of 2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine?
The InChIKey is AFGFJAMLISGCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-8-11(14)2-3-12(10)13(4-6-15)5-7-16-9-13/h2-3,8H,4-7,9,15H2,1H3.
What are the key properties of 2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine?
2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine has a molecular weight of 239.75 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine is sourced from PubChem (CID 83824748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).