N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine

C11H9ClFNS — CID 114842454

IUPACN-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine
SMILESFc1cc(Cl)ccc1CNc1ccsc1
InChIInChI=1S/C11H9ClFNS/c12-9-2-1-8(11(13)5-9)6-14-10-3-4-15-7-10/h1-5,7,14H,6H2
InChIKeyQNSLVEDSCUWZRJ-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.15
Rot. Bonds3

About N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine

N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine (PubChem CID 114842454) has the molecular formula C11H9ClFNS and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine
PubChem CID114842454
Molecular FormulaC11H9ClFNS
Molecular Weight241.72 g/mol
Exact Mass241.01
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine
SMILESFc1cc(Cl)ccc1CNc1ccsc1
InChIInChI=1S/C11H9ClFNS/c12-9-2-1-8(11(13)5-9)6-14-10-3-4-15-7-10/h1-5,7,14H,6H2
InChIKeyQNSLVEDSCUWZRJ-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

4-chloro-2-[(thiophen-3-ylamino)methyl]phenol
CID 66351861
N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine
CID 112652146
3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841284
N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine
CID 66351470
N-[(3-chlorophenyl)methyl]thiophen-3-amine
CID 66351019
4-fluoro-3-[(thiophen-3-ylamino)methyl]benzoic acid
CID 107453046
N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 102609742
4-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 114841520
N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine
CID 107804043
3,5-dichloro-N-[(4-chloro-2-fluorophenyl)methyl]-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 114841952
N-[(4-chloro-2-fluorophenyl)methyl]-1H-indol-5-amine
CID 114841443
N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
CID 114841721

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine (CID 114842454) is N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine is Fc1cc(Cl)ccc1CNc1ccsc1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine?
The InChIKey is QNSLVEDSCUWZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNS/c12-9-2-1-8(11(13)5-9)6-14-10-3-4-15-7-10/h1-5,7,14H,6H2.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine?
N-[(4-chloro-2-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-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine is sourced from PubChem (CID 114842454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).