N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine

C17H20ClNO — CID 105407022

IUPACN-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(Oc2cc(C)ccc2Cl)c1
InChIInChI=1S/C17H20ClNO/c1-4-19-11-14-7-6-13(3)16(10-14)20-17-9-12(2)5-8-15(17)18/h5-10,19H,4,11H2,1-3H3
InChIKeyCILBSPMPDIEEGT-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.86
Rot. Bonds5

About N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine

N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine (PubChem CID 105407022) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine
PubChem CID105407022
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(Oc2cc(C)ccc2Cl)c1
InChIInChI=1S/C17H20ClNO/c1-4-19-11-14-7-6-13(3)16(10-14)20-17-9-12(2)5-8-15(17)18/h5-10,19H,4,11H2,1-3H3
InChIKeyCILBSPMPDIEEGT-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine
CID 43283829
N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990193
1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407266
N-[[3-(2-bromo-4-chlorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406870
N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine
CID 114856304
N-[[3-chloro-6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62297317
N-[[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 81151267
N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine
CID 105406973
N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406669
N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 64855811
N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43282679

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine (CID 105407022) is N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine is CCNCc1ccc(C)c(Oc2cc(C)ccc2Cl)c1.
What is the InChIKey of N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine?
The InChIKey is CILBSPMPDIEEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-4-19-11-14-7-6-13(3)16(10-14)20-17-9-12(2)5-8-15(17)18/h5-10,19H,4,11H2,1-3H3.
What are the key properties of N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine?
N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 105407022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).