N-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine

C18H20FNS — CID 79330415

IUPACN-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine
SMILESCCC(=Cc1ccc(-c2ccccc2F)s1)CNC1CC1
InChIInChI=1S/C18H20FNS/c1-2-13(12-20-14-7-8-14)11-15-9-10-18(21-15)16-5-3-4-6-17(16)19/h3-6,9-11,14,20H,2,7-8,12H2,1H3
InChIKeyBHXIPUNWJCLANY-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.10
Rot. Bonds6

About N-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine

N-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine (PubChem CID 79330415) has the molecular formula C18H20FNS and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine
PubChem CID79330415
Molecular FormulaC18H20FNS
Molecular Weight301.43 g/mol
Exact Mass301.13
IUPAC NameN-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine
SMILESCCC(=Cc1ccc(-c2ccccc2F)s1)CNC1CC1
InChIInChI=1S/C18H20FNS/c1-2-13(12-20-14-7-8-14)11-15-9-10-18(21-15)16-5-3-4-6-17(16)19/h3-6,9-11,14,20H,2,7-8,12H2,1H3
InChIKeyBHXIPUNWJCLANY-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine?
The IUPAC name of N-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine (CID 79330415) is N-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine is CCC(=Cc1ccc(-c2ccccc2F)s1)CNC1CC1.
What is the InChIKey of N-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine?
The InChIKey is BHXIPUNWJCLANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNS/c1-2-13(12-20-14-7-8-14)11-15-9-10-18(21-15)16-5-3-4-6-17(16)19/h3-6,9-11,14,20H,2,7-8,12H2,1H3.
What are the key properties of N-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine?
N-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine has a molecular weight of 301.43 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]butyl]cyclopropanamine is sourced from PubChem (CID 79330415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).