2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine

C14H15ClFNS — CID 62529381

IUPAC2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)cc1)Cc1ccc(Cl)s1
InChIInChI=1S/C14H15ClFNS/c15-14-6-5-13(18-14)8-11(9-17)7-10-1-3-12(16)4-2-10/h1-6,11H,7-9,17H2
InChIKeyHTFCQLIUAZEUKS-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.90
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine

2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine (PubChem CID 62529381) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine
PubChem CID62529381
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)cc1)Cc1ccc(Cl)s1
InChIInChI=1S/C14H15ClFNS/c15-14-6-5-13(18-14)8-11(9-17)7-10-1-3-12(16)4-2-10/h1-6,11H,7-9,17H2
InChIKeyHTFCQLIUAZEUKS-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine (CID 62529381) is 2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine is NCC(Cc1ccc(F)cc1)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine?
The InChIKey is HTFCQLIUAZEUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c15-14-6-5-13(18-14)8-11(9-17)7-10-1-3-12(16)4-2-10/h1-6,11H,7-9,17H2.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine?
2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine has a molecular weight of 283.80 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 62529381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).