2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine

C15H22Cl2FN — CID 79298947

IUPAC2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine
SMILESCCCNC(C(C)C)C(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2FN/c1-5-6-19-15(9(2)3)10(4)11-7-14(18)13(17)8-12(11)16/h7-10,15,19H,5-6H2,1-4H3
InChIKeyXGHJQZNBESQERV-UHFFFAOYSA-N
MW306.25 g/mol
LogP5.26
Rot. Bonds6

About 2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine

2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine (PubChem CID 79298947) has the molecular formula C15H22Cl2FN and a molecular weight of 306.25 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine
PubChem CID79298947
Molecular FormulaC15H22Cl2FN
Molecular Weight306.25 g/mol
Exact Mass305.11
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine
SMILESCCCNC(C(C)C)C(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2FN/c1-5-6-19-15(9(2)3)10(4)11-7-14(18)13(17)8-12(11)16/h7-10,15,19H,5-6H2,1-4H3
InChIKeyXGHJQZNBESQERV-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.25
LogP ≤ 55.26
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

3-(2,4-dichloro-5-fluorophenyl)-N-propylbutan-2-amine
CID 66438321
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]octan-1-amine
CID 115566984
1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine
CID 82709029
1-(2-chloro-4,5-difluorophenyl)-N-propylbutan-1-amine
CID 107476598
1-butan-2-yl-2,4-dichloro-5-fluorobenzene
CID 118487381
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butan-1-ol
CID 106840626
1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine
CID 115833076
2-(2,4-dichloro-5-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 66438476
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]prop-2-en-1-amine
CID 43231321
1-(2-chloro-4,5-difluorophenyl)-2-ethyl-N-propylbutan-1-amine
CID 107476596
1-(3-chloro-4-fluorophenyl)-3-methyl-N-propylbutan-2-amine
CID 103039834
[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9377247

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine (CID 79298947) is 2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine is CCCNC(C(C)C)C(C)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine?
The InChIKey is XGHJQZNBESQERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2FN/c1-5-6-19-15(9(2)3)10(4)11-7-14(18)13(17)8-12(11)16/h7-10,15,19H,5-6H2,1-4H3.
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine?
2-(2,4-dichloro-5-fluorophenyl)-4-methyl-N-propylpentan-3-amine has a molecular weight of 306.25 g/mol, XLogP of 5.26, 6 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)-4-methyl-N-propylpentan-3-amine is sourced from PubChem (CID 79298947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).