N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine

C15H16FNS — CID 81447660

IUPACN-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine
SMILESCc1ccsc1-c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C15H16FNS/c1-10-6-7-18-15(10)13-5-2-11(8-14(13)16)9-17-12-3-4-12/h2,5-8,12,17H,3-4,9H2,1H3
InChIKeySMOWSWABMTVTGE-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.11
Rot. Bonds4

About N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine

N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine (PubChem CID 81447660) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine
PubChem CID81447660
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC NameN-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine
SMILESCc1ccsc1-c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C15H16FNS/c1-10-6-7-18-15(10)13-5-2-11(8-14(13)16)9-17-12-3-4-12/h2,5-8,12,17H,3-4,9H2,1H3
InChIKeySMOWSWABMTVTGE-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine (CID 81447660) is N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine is Cc1ccsc1-c1ccc(CNC2CC2)cc1F.
What is the InChIKey of N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is SMOWSWABMTVTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-10-6-7-18-15(10)13-5-2-11(8-14(13)16)9-17-12-3-4-12/h2,5-8,12,17H,3-4,9H2,1H3.
What are the key properties of N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 261.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 81447660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).