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

C13H18ClNO2 — CID 115005382

IUPAC3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
SMILESNCCCc1ccc(OC2CCOC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c14-12-8-10(2-1-6-15)3-4-13(12)17-11-5-7-16-9-11/h3-4,8,11H,1-2,5-7,9,15H2
InChIKeyTUSMTMBTNBMMCN-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.40
Rot. Bonds5

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

3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine (PubChem CID 115005382) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
PubChem CID115005382
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
SMILESNCCCc1ccc(OC2CCOC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c14-12-8-10(2-1-6-15)3-4-13(12)17-11-5-7-16-9-11/h3-4,8,11H,1-2,5-7,9,15H2
InChIKeyTUSMTMBTNBMMCN-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005123
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117427899
3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine
CID 115005357
3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115004698
4-[3-chloro-4-(thiolan-3-yloxy)phenyl]butan-1-amine
CID 117460472
1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117425519
N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63556375
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005383
[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63558607
O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117397789
4-[3-chloro-4-(oxetan-3-yloxy)phenyl]butanoic acid
CID 117429756
1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine
CID 118058024

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine?
The IUPAC name of 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine (CID 115005382) is 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine is NCCCc1ccc(OC2CCOC2)c(Cl)c1.
What is the InChIKey of 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine?
The InChIKey is TUSMTMBTNBMMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-12-8-10(2-1-6-15)3-4-13(12)17-11-5-7-16-9-11/h3-4,8,11H,1-2,5-7,9,15H2.
What are the key properties of 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine?
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine has a molecular weight of 255.74 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine is sourced from PubChem (CID 115005382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).