1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine

C16H16Cl2FNO — CID 105397219

IUPAC1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine
SMILESCNC(c1cc(F)ccc1Cl)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C16H16Cl2FNO/c1-10(21-13-5-3-4-11(17)8-13)16(20-2)14-9-12(19)6-7-15(14)18/h3-10,16,20H,1-2H3
InChIKeySSNNTGGFMNQWRY-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.86
Rot. Bonds5

About 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine

1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine (PubChem CID 105397219) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine
PubChem CID105397219
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine
SMILESCNC(c1cc(F)ccc1Cl)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C16H16Cl2FNO/c1-10(21-13-5-3-4-11(17)8-13)16(20-2)14-9-12(19)6-7-15(14)18/h3-10,16,20H,1-2H3
InChIKeySSNNTGGFMNQWRY-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-1-(2-chlorophenyl)-N-methylpropan-1-amine
CID 105099609
[2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)propyl]hydrazine
CID 105303167
2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine
CID 107130479
1-(2-chloro-5-fluorophenyl)-3-(3-chlorophenoxy)butan-2-amine
CID 102622785
[2-(3-chlorophenoxy)-1-(2,3-difluorophenyl)propyl]hydrazine
CID 105309301
[2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propyl]hydrazine
CID 105285682
2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine
CID 105142039
[1-(3-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propyl]hydrazine
CID 106649782
3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 105131249
1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 105397290
1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105396910
1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 105394635

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine (CID 105397219) is 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine is CNC(c1cc(F)ccc1Cl)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine?
The InChIKey is SSNNTGGFMNQWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-10(21-13-5-3-4-11(17)8-13)16(20-2)14-9-12(19)6-7-15(14)18/h3-10,16,20H,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine?
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine has a molecular weight of 328.21 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 1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 105397219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).