2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine

C16H15Cl2F2N — CID 114347090

IUPAC2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
SMILESCc1cc(F)ccc1CC(C)(N)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2F2N/c1-9-5-11(19)4-3-10(9)8-16(2,21)12-6-15(20)14(18)7-13(12)17/h3-7H,8,21H2,1-2H3
InChIKeyLEEDHOVLZTVVLB-UHFFFAOYSA-N
MW330.21 g/mol
LogP5.00
Rot. Bonds3

About 2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine

2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine (PubChem CID 114347090) has the molecular formula C16H15Cl2F2N and a molecular weight of 330.21 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
PubChem CID114347090
Molecular FormulaC16H15Cl2F2N
Molecular Weight330.21 g/mol
Exact Mass329.05
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
SMILESCc1cc(F)ccc1CC(C)(N)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2F2N/c1-9-5-11(19)4-3-10(9)8-16(2,21)12-6-15(20)14(18)7-13(12)17/h3-7H,8,21H2,1-2H3
InChIKeyLEEDHOVLZTVVLB-UHFFFAOYSA-N
XLogP5.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 55.00
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

1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347080
2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 61056644
1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 65146594
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine
CID 63408416
2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine
CID 62622766
2-(2,4-dichloro-5-fluorophenyl)-1-(2,5-difluorophenyl)propan-2-ol
CID 63407094
3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine
CID 114347085
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 82779386
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 62197982
2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772421
1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 114346991

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine (CID 114347090) is 2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine is Cc1cc(F)ccc1CC(C)(N)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine?
The InChIKey is LEEDHOVLZTVVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2N/c1-9-5-11(19)4-3-10(9)8-16(2,21)12-6-15(20)14(18)7-13(12)17/h3-7H,8,21H2,1-2H3.
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine?
2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine has a molecular weight of 330.21 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 114347090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).