N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine

C14H15ClFNS — CID 107368888

IUPACN-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cc(F)cc(Cl)c2)s1
InChIInChI=1S/C14H15ClFNS/c1-9(2)17-8-13-3-4-14(18-13)10-5-11(15)7-12(16)6-10/h3-7,9,17H,8H2,1-2H3
InChIKeyGTVWQSSBYHDKOV-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.71
Rot. Bonds4

About N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine

N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107368888) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID107368888
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC NameN-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cc(F)cc(Cl)c2)s1
InChIInChI=1S/C14H15ClFNS/c1-9(2)17-8-13-3-4-14(18-13)10-5-11(15)7-12(16)6-10/h3-7,9,17H,8H2,1-2H3
InChIKeyGTVWQSSBYHDKOV-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine (CID 107368888) is N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(-c2cc(F)cc(Cl)c2)s1.
What is the InChIKey of N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is GTVWQSSBYHDKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-9(2)17-8-13-3-4-14(18-13)10-5-11(15)7-12(16)6-10/h3-7,9,17H,8H2,1-2H3.
What are the key properties of N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine?
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 283.80 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107368888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).