N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine

C14H15ClFNS — CID 43432724

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFNS/c1-10(8-11-4-3-7-18-11)17-9-12-13(15)5-2-6-14(12)16/h2-7,10,17H,8-9H2,1H3
InChIKeyDWEUCGBKRCMHDZ-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.26
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine

N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 43432724) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID43432724
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1c(F)cccc1Cl
InChIInChI=1S/C14H15ClFNS/c1-10(8-11-4-3-7-18-11)17-9-12-13(15)5-2-6-14(12)16/h2-7,10,17H,8-9H2,1H3
InChIKeyDWEUCGBKRCMHDZ-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-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

N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54952882
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 4716146
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011
2-[(2-chloro-6-fluorophenyl)methylamino]propane-1-thiol
CID 130205125
(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol
CID 93082589
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432764
N-[(2-chloro-6-fluorophenyl)methyl]-4-methylsulfinylbutan-2-amine
CID 115688164
1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43677636
N-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 79420256
N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43749140
(1R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28517521
N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182728

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine (CID 43432724) is N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine is CC(Cc1cccs1)NCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is DWEUCGBKRCMHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-10(8-11-4-3-7-18-11)17-9-12-13(15)5-2-6-14(12)16/h2-7,10,17H,8-9H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 283.80 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 43432724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).