2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine

C13H18ClNO2 — CID 115005383

IUPAC2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
SMILESCC(CN)c1ccc(OC2CCOC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-9(7-15)10-2-3-13(12(14)6-10)17-11-4-5-16-8-11/h2-3,6,9,11H,4-5,7-8,15H2,1H3
InChIKeyUVVLEYNMVBNUDI-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.57
Rot. Bonds4

About 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine

2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine (PubChem CID 115005383) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
PubChem CID115005383
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
SMILESCC(CN)c1ccc(OC2CCOC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-9(7-15)10-2-3-13(12(14)6-10)17-11-4-5-16-8-11/h2-3,6,9,11H,4-5,7-8,15H2,1H3
InChIKeyUVVLEYNMVBNUDI-UHFFFAOYSA-N
XLogP2.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005127
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine
CID 63557845
2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417571
N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63556375
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005382
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117427899
3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]butanal
CID 117415121
(1R)-1-[3-bromo-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 78945077
(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63558652
[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63558607
1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117425519
3-chloro-4-(oxan-3-yloxy)aniline
CID 107134076

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine?
The IUPAC name of 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine (CID 115005383) is 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine.
What is the SMILES notation for 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine?
The canonical SMILES for 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine is CC(CN)c1ccc(OC2CCOC2)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine?
The InChIKey is UVVLEYNMVBNUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9(7-15)10-2-3-13(12(14)6-10)17-11-4-5-16-8-11/h2-3,6,9,11H,4-5,7-8,15H2,1H3.
What are the key properties of 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine?
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine has a molecular weight of 255.75 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine is sourced from PubChem (CID 115005383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).