1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine

C15H12Cl3F2N — CID 63408416

IUPAC1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine
SMILESCC(N)(Cc1c(F)cccc1Cl)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3F2N/c1-15(21,7-8-10(16)3-2-4-13(8)19)9-5-14(20)12(18)6-11(9)17/h2-6H,7,21H2,1H3
InChIKeyHGIOFHOEWJXFRR-UHFFFAOYSA-N
MW350.62 g/mol
LogP5.34
Rot. Bonds3

About 1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine

1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine (PubChem CID 63408416) has the molecular formula C15H12Cl3F2N and a molecular weight of 350.62 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine
PubChem CID63408416
Molecular FormulaC15H12Cl3F2N
Molecular Weight350.62 g/mol
Exact Mass349.00
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine
SMILESCC(N)(Cc1c(F)cccc1Cl)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3F2N/c1-15(21,7-8-10(16)3-2-4-13(8)19)9-5-14(20)12(18)6-11(9)17/h2-6H,7,21H2,1H3
InChIKeyHGIOFHOEWJXFRR-UHFFFAOYSA-N
XLogP5.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 61056644
2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine
CID 62622766
1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine
CID 61496061
2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347090
4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine
CID 82113720
1-(2,6-difluorophenyl)-2-(2-methylphenyl)propan-2-amine
CID 114931214
1-(2-chloro-6-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 61496162
2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772421
3-[(2-chloro-6-fluorophenyl)methyl]heptan-3-amine
CID 65020419
1-(2-chlorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 60797963
1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine
CID 54933232
2-(2,3-dichlorophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 114833591

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine (CID 63408416) is 1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine is CC(N)(Cc1c(F)cccc1Cl)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine?
The InChIKey is HGIOFHOEWJXFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3F2N/c1-15(21,7-8-10(16)3-2-4-13(8)19)9-5-14(20)12(18)6-11(9)17/h2-6H,7,21H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine?
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine has a molecular weight of 350.62 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine is sourced from PubChem (CID 63408416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).