N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine

C11H9ClFNS — CID 112652146

IUPACN-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine
SMILESFc1cccc(CNc2ccsc2)c1Cl
InChIInChI=1S/C11H9ClFNS/c12-11-8(2-1-3-10(11)13)6-14-9-4-5-15-7-9/h1-5,7,14H,6H2
InChIKeyNFGHFTOZWZJKNU-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.15
Rot. Bonds3

About N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine

N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine (PubChem CID 112652146) has the molecular formula C11H9ClFNS and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine
PubChem CID112652146
Molecular FormulaC11H9ClFNS
Molecular Weight241.72 g/mol
Exact Mass241.01
IUPAC NameN-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine
SMILESFc1cccc(CNc2ccsc2)c1Cl
InChIInChI=1S/C11H9ClFNS/c12-11-8(2-1-3-10(11)13)6-14-9-4-5-15-7-9/h1-5,7,14H,6H2
InChIKeyNFGHFTOZWZJKNU-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine
CID 66351470
N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine
CID 114842454
N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline
CID 112651786
N-(naphthalen-1-ylmethyl)thiophen-3-amine
CID 66351259
4-chloro-2-[(thiophen-3-ylamino)methyl]phenol
CID 66351861
(2-chloro-3-fluorophenyl)methylhydrazine
CID 81453607
N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline
CID 112651757
2,4,6-trichloro-N-[(2-chloro-3-fluorophenyl)methyl]aniline
CID 112651817
N-[(2-chloro-3-fluorophenyl)methyl]-3,4-dimethoxyaniline
CID 115982783
N-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline
CID 112651771
N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine
CID 66352968
N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine
CID 112652175

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine (CID 112652146) is N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine is Fc1cccc(CNc2ccsc2)c1Cl.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine?
The InChIKey is NFGHFTOZWZJKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNS/c12-11-8(2-1-3-10(11)13)6-14-9-4-5-15-7-9/h1-5,7,14H,6H2.
What are the key properties of N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine?
N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine has a molecular weight of 241.72 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine is sourced from PubChem (CID 112652146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).