N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propyl]cyclopropanamine

C17H19ClFNS — CID 62515110

IUPACN-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propyl]cyclopropanamine
SMILESFc1ccccc1CC(CNC1CC1)Cc1ccc(Cl)s1
InChIInChI=1S/C17H19ClFNS/c18-17-8-7-15(21-17)10-12(11-20-14-5-6-14)9-13-3-1-2-4-16(13)19/h1-4,7-8,12,14,20H,5-6,9-11H2
InChIKeyOBCCUIUOZRTGTC-UHFFFAOYSA-N
MW323.86 g/mol
LogP4.69
Rot. Bonds7

About N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propyl]cyclopropanamine

N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propyl]cyclopropanamine (PubChem CID 62515110) has the molecular formula C17H19ClFNS and a molecular weight of 323.86 g/mol. Its IUPAC name is N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propyl]cyclopropanamine
PubChem CID62515110
Molecular FormulaC17H19ClFNS
Molecular Weight323.86 g/mol
Exact Mass323.09
IUPAC NameN-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propyl]cyclopropanamine
SMILESFc1ccccc1CC(CNC1CC1)Cc1ccc(Cl)s1
InChIInChI=1S/C17H19ClFNS/c18-17-8-7-15(21-17)10-12(11-20-14-5-6-14)9-13-3-1-2-4-16(13)19/h1-4,7-8,12,14,20H,5-6,9-11H2
InChIKeyOBCCUIUOZRTGTC-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propyl]cyclopropanamine?
The IUPAC name of N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propyl]cyclopropanamine (CID 62515110) is N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propyl]cyclopropanamine is Fc1ccccc1CC(CNC1CC1)Cc1ccc(Cl)s1.
What is the InChIKey of N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propyl]cyclopropanamine?
The InChIKey is OBCCUIUOZRTGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNS/c18-17-8-7-15(21-17)10-12(11-20-14-5-6-14)9-13-3-1-2-4-16(13)19/h1-4,7-8,12,14,20H,5-6,9-11H2.
What are the key properties of N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propyl]cyclopropanamine?
N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propyl]cyclopropanamine has a molecular weight of 323.86 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propyl]cyclopropanamine is sourced from PubChem (CID 62515110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).