2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

C14H20ClFN2 — CID 43308733

IUPAC2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCC(Nc1ccc(F)cc1Cl)C1CCCN(C)C1
InChIInChI=1S/C14H20ClFN2/c1-10(11-4-3-7-18(2)9-11)17-14-6-5-12(16)8-13(14)15/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3
InChIKeyOVMRPCYHRDGWKZ-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.62
Rot. Bonds3

About 2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (PubChem CID 43308733) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
PubChem CID43308733
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCC(Nc1ccc(F)cc1Cl)C1CCCN(C)C1
InChIInChI=1S/C14H20ClFN2/c1-10(11-4-3-7-18(2)9-11)17-14-6-5-12(16)8-13(14)15/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3
InChIKeyOVMRPCYHRDGWKZ-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline 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

2-chloro-4-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308731
2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 81263405
2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline
CID 43307432
N-[2-chloro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43690136
N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
CID 65071350
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine
CID 61210865
5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine
CID 60927567
2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 43741661
2-chloro-5-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43686795
4-bromo-2-chloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308799
N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43307908
2-fluoro-4-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 64795007

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The IUPAC name of 2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (CID 43308733) is 2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is CC(Nc1ccc(F)cc1Cl)C1CCCN(C)C1.
What is the InChIKey of 2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The InChIKey is OVMRPCYHRDGWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-10(11-4-3-7-18(2)9-11)17-14-6-5-12(16)8-13(14)15/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3.
What are the key properties of 2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline has a molecular weight of 270.78 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 43308733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).