N-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine

C14H13Cl2NS — CID 43275244

IUPACN-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine
SMILESClc1ccc(-c2ccc(CNC3CC3)s2)cc1Cl
InChIInChI=1S/C14H13Cl2NS/c15-12-5-1-9(7-13(12)16)14-6-4-11(18-14)8-17-10-2-3-10/h1,4-7,10,17H,2-3,8H2
InChIKeyMHOYAZUIVXATPS-UHFFFAOYSA-N
MW298.24 g/mol
LogP4.97
Rot. Bonds4

About N-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine

N-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 43275244) has the molecular formula C14H13Cl2NS and a molecular weight of 298.24 g/mol. Its IUPAC name is N-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine
PubChem CID43275244
Molecular FormulaC14H13Cl2NS
Molecular Weight298.24 g/mol
Exact Mass297.01
IUPAC NameN-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine
SMILESClc1ccc(-c2ccc(CNC3CC3)s2)cc1Cl
InChIInChI=1S/C14H13Cl2NS/c15-12-5-1-9(7-13(12)16)14-6-4-11(18-14)8-17-10-2-3-10/h1,4-7,10,17H,2-3,8H2
InChIKeyMHOYAZUIVXATPS-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine (CID 43275244) is N-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine is Clc1ccc(-c2ccc(CNC3CC3)s2)cc1Cl.
What is the InChIKey of N-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is MHOYAZUIVXATPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NS/c15-12-5-1-9(7-13(12)16)14-6-4-11(18-14)8-17-10-2-3-10/h1,4-7,10,17H,2-3,8H2.
What are the key properties of N-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 298.24 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 43275244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).