2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine

C16H18ClNO — CID 63802937

IUPAC2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine
SMILESCc1cc(C)cc(Oc2cccc(Cl)c2CCN)c1
InChIInChI=1S/C16H18ClNO/c1-11-8-12(2)10-13(9-11)19-16-5-3-4-15(17)14(16)6-7-18/h3-5,8-10H,6-7,18H2,1-2H3
InChIKeyCTCIJBRTMGJTEG-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.25
Rot. Bonds4

About 2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine

2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine (PubChem CID 63802937) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine
PubChem CID63802937
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine
SMILESCc1cc(C)cc(Oc2cccc(Cl)c2CCN)c1
InChIInChI=1S/C16H18ClNO/c1-11-8-12(2)10-13(9-11)19-16-5-3-4-15(17)14(16)6-7-18/h3-5,8-10H,6-7,18H2,1-2H3
InChIKeyCTCIJBRTMGJTEG-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine
CID 63816618
2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 55238754
2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
CID 63815220
N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine
CID 43283090
2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine
CID 63815236
2-[2-chloro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 55238568
2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774
2-(2-chloro-6-methylphenyl)ethanamine
CID 84731855
2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116804277
2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102878213
2-chloro-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 63565892
2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 114321489

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine (CID 63802937) is 2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine is Cc1cc(C)cc(Oc2cccc(Cl)c2CCN)c1.
What is the InChIKey of 2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine?
The InChIKey is CTCIJBRTMGJTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-8-12(2)10-13(9-11)19-16-5-3-4-15(17)14(16)6-7-18/h3-5,8-10H,6-7,18H2,1-2H3.
What are the key properties of 2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine?
2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 63802937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).