N-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine

C14H20ClNO2 — CID 113276658

IUPACN-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OC1CCOCC1
InChIInChI=1S/C14H20ClNO2/c1-2-16-10-12-13(15)4-3-5-14(12)18-11-6-8-17-9-7-11/h3-5,11,16H,2,6-10H2,1H3
InChIKeyDOFZMRNNNXCJJC-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.01
Rot. Bonds5

About N-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine

N-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine (PubChem CID 113276658) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine
PubChem CID113276658
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OC1CCOCC1
InChIInChI=1S/C14H20ClNO2/c1-2-16-10-12-13(15)4-3-5-14(12)18-11-6-8-17-9-7-11/h3-5,11,16H,2,6-10H2,1H3
InChIKeyDOFZMRNNNXCJJC-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine (CID 113276658) is N-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1OC1CCOCC1.
What is the InChIKey of N-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine?
The InChIKey is DOFZMRNNNXCJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-2-16-10-12-13(15)4-3-5-14(12)18-11-6-8-17-9-7-11/h3-5,11,16H,2,6-10H2,1H3.
What are the key properties of N-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine?
N-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine has a molecular weight of 269.77 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 113276658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).