2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine

C15H15ClFNO — CID 82727632

IUPAC2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine
SMILESCc1cc(Oc2ccc(Cl)c(F)c2)ccc1CCN
InChIInChI=1S/C15H15ClFNO/c1-10-8-12(3-2-11(10)6-7-18)19-13-4-5-14(16)15(17)9-13/h2-5,8-9H,6-7,18H2,1H3
InChIKeyOQGZNIGSUZMTSO-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.08
Rot. Bonds4

About 2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine

2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine (PubChem CID 82727632) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine
PubChem CID82727632
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine
SMILESCc1cc(Oc2ccc(Cl)c(F)c2)ccc1CCN
InChIInChI=1S/C15H15ClFNO/c1-10-8-12(3-2-11(10)6-7-18)19-13-4-5-14(16)15(17)9-13/h2-5,8-9H,6-7,18H2,1H3
InChIKeyOQGZNIGSUZMTSO-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine
CID 82718867
2-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]ethanamine
CID 63804026
2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine
CID 63815390
2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine
CID 114677126
1-chloro-2-fluoro-4-(3-methylphenoxy)benzene
CID 91481927
2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
2-[5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 82726959
1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 63879873
(1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
CID 79020482
[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine
CID 55038503
1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 55038504
1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene
CID 131997847

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine?
The IUPAC name of 2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine (CID 82727632) is 2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine is Cc1cc(Oc2ccc(Cl)c(F)c2)ccc1CCN.
What is the InChIKey of 2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine?
The InChIKey is OQGZNIGSUZMTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-8-12(3-2-11(10)6-7-18)19-13-4-5-14(16)15(17)9-13/h2-5,8-9H,6-7,18H2,1H3.
What are the key properties of 2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine?
2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine has a molecular weight of 279.74 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine is sourced from PubChem (CID 82727632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).