1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine

C15H23ClFNO — CID 116721172

IUPAC1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
SMILESCCOC(C(C)C)C(Cc1cccc(F)c1Cl)NC
InChIInChI=1S/C15H23ClFNO/c1-5-19-15(10(2)3)13(18-4)9-11-7-6-8-12(17)14(11)16/h6-8,10,13,15,18H,5,9H2,1-4H3
InChIKeyGNDROEATSUHSJX-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.67
Rot. Bonds7

About 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine

1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine (PubChem CID 116721172) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
PubChem CID116721172
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
SMILESCCOC(C(C)C)C(Cc1cccc(F)c1Cl)NC
InChIInChI=1S/C15H23ClFNO/c1-5-19-15(10(2)3)13(18-4)9-11-7-6-8-12(17)14(11)16/h6-8,10,13,15,18H,5,9H2,1-4H3
InChIKeyGNDROEATSUHSJX-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-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

Related Compounds

1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 112653738
3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine
CID 116721266
3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine
CID 64533184
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 112653814
1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 114932658
1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine
CID 112653598
1-(1-benzothiophen-3-yl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721185
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 112651923
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 116721271
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 115983710

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine (CID 116721172) is 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine is CCOC(C(C)C)C(Cc1cccc(F)c1Cl)NC.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine?
The InChIKey is GNDROEATSUHSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-5-19-15(10(2)3)13(18-4)9-11-7-6-8-12(17)14(11)16/h6-8,10,13,15,18H,5,9H2,1-4H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine?
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine has a molecular weight of 287.81 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 116721172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).