1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine

C17H20ClFN2 — CID 103053170

IUPAC1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
SMILESCCNC(CCc1ccncc1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C17H20ClFN2/c1-2-21-16(5-3-13-7-9-20-10-8-13)12-14-11-15(18)4-6-17(14)19/h4,6-11,16,21H,2-3,5,12H2,1H3
InChIKeyZWUIZWXBZBHZOX-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.03
Rot. Bonds7

About 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine

1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine (PubChem CID 103053170) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
PubChem CID103053170
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
SMILESCCNC(CCc1ccncc1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C17H20ClFN2/c1-2-21-16(5-3-13-7-9-20-10-8-13)12-14-11-15(18)4-6-17(14)19/h4,6-11,16,21H,2-3,5,12H2,1H3
InChIKeyZWUIZWXBZBHZOX-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-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-(5-chloro-2-fluorophenyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
CID 103053100
1-(5-chloro-2-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 103048600
1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 103053358
1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105105357
1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105101158
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 103053051
N-ethyl-1-pyridin-4-ylpentan-3-amine
CID 105078896
1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 60819236
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 103048614
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine
CID 103052938
1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105181259
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 103048515

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine (CID 103053170) is 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine is CCNC(CCc1ccncc1)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine?
The InChIKey is ZWUIZWXBZBHZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-2-21-16(5-3-13-7-9-20-10-8-13)12-14-11-15(18)4-6-17(14)19/h4,6-11,16,21H,2-3,5,12H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine?
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine has a molecular weight of 306.81 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 103053170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).