2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine

C15H16ClNO — CID 63816618

IUPAC2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Oc2cccc(Cl)c2CCN)cc1
InChIInChI=1S/C15H16ClNO/c1-11-5-7-12(8-6-11)18-15-4-2-3-14(16)13(15)9-10-17/h2-8H,9-10,17H2,1H3
InChIKeySGBKFXYAYMVFAE-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.94
Rot. Bonds4

About 2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine

2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine (PubChem CID 63816618) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine
PubChem CID63816618
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Oc2cccc(Cl)c2CCN)cc1
InChIInChI=1S/C15H16ClNO/c1-11-5-7-12(8-6-11)18-15-4-2-3-14(16)13(15)9-10-17/h2-8H,9-10,17H2,1H3
InChIKeySGBKFXYAYMVFAE-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine
CID 63802937
2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
CID 63815220
2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine
CID 63815236
3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole
CID 157331520
2-[2-chloro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 55238568
2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 55238754
2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
2-[4-(2-chlorophenoxy)phenyl]ethanamine
CID 20993672
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-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine
CID 114321645

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine (CID 63816618) is 2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine is Cc1ccc(Oc2cccc(Cl)c2CCN)cc1.
What is the InChIKey of 2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine?
The InChIKey is SGBKFXYAYMVFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-5-7-12(8-6-11)18-15-4-2-3-14(16)13(15)9-10-17/h2-8H,9-10,17H2,1H3.
What are the key properties of 2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine?
2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine has a molecular weight of 261.75 g/mol, XLogP of 3.94, 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-(4-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 63816618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).