3-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)methyl]pent-1-en-2-amine

C18H18Cl2FNO — CID 144509351

IUPAC3-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)methyl]pent-1-en-2-amine
SMILESC=C(NCc1cccc(F)c1)C(CC)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2FNO/c1-3-17(23-18-8-7-14(19)10-16(18)20)12(2)22-11-13-5-4-6-15(21)9-13/h4-10,17,22H,2-3,11H2,1H3
InChIKeyDXHQMCHIHFSJOF-UHFFFAOYSA-N
MW354.25 g/mol
LogP5.59
Rot. Bonds7

About 3-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)methyl]pent-1-en-2-amine

3-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)methyl]pent-1-en-2-amine (PubChem CID 144509351) has the molecular formula C18H18Cl2FNO and a molecular weight of 354.25 g/mol. Its IUPAC name is 3-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)methyl]pent-1-en-2-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)methyl]pent-1-en-2-amine
PubChem CID144509351
Molecular FormulaC18H18Cl2FNO
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name3-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)methyl]pent-1-en-2-amine
SMILESC=C(NCc1cccc(F)c1)C(CC)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2FNO/c1-3-17(23-18-8-7-14(19)10-16(18)20)12(2)22-11-13-5-4-6-15(21)9-13/h4-10,17,22H,2-3,11H2,1H3
InChIKeyDXHQMCHIHFSJOF-UHFFFAOYSA-N
XLogP5.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.25
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)methyl]pent-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)methyl]pent-1-en-2-amine?
The IUPAC name of 3-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)methyl]pent-1-en-2-amine (CID 144509351) is 3-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)methyl]pent-1-en-2-amine.
What is the SMILES notation for 3-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)methyl]pent-1-en-2-amine?
The canonical SMILES for 3-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)methyl]pent-1-en-2-amine is C=C(NCc1cccc(F)c1)C(CC)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)methyl]pent-1-en-2-amine?
The InChIKey is DXHQMCHIHFSJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FNO/c1-3-17(23-18-8-7-14(19)10-16(18)20)12(2)22-11-13-5-4-6-15(21)9-13/h4-10,17,22H,2-3,11H2,1H3.
What are the key properties of 3-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)methyl]pent-1-en-2-amine?
3-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)methyl]pent-1-en-2-amine has a molecular weight of 354.25 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)methyl]pent-1-en-2-amine is sourced from PubChem (CID 144509351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).