2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine

C14H16ClNS — CID 62528407

IUPAC2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine
SMILESNCC(Cc1cccs1)Cc1ccccc1Cl
InChIInChI=1S/C14H16ClNS/c15-14-6-2-1-4-12(14)8-11(10-16)9-13-5-3-7-17-13/h1-7,11H,8-10,16H2
InChIKeyYFPMPNZMLDGHDM-UHFFFAOYSA-N
MW265.81 g/mol
LogP3.76
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine

2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine (PubChem CID 62528407) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine
PubChem CID62528407
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine
SMILESNCC(Cc1cccs1)Cc1ccccc1Cl
InChIInChI=1S/C14H16ClNS/c15-14-6-2-1-4-12(14)8-11(10-16)9-13-5-3-7-17-13/h1-7,11H,8-10,16H2
InChIKeyYFPMPNZMLDGHDM-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine (CID 62528407) is 2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine is NCC(Cc1cccs1)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine?
The InChIKey is YFPMPNZMLDGHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c15-14-6-2-1-4-12(14)8-11(10-16)9-13-5-3-7-17-13/h1-7,11H,8-10,16H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine?
2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine has a molecular weight of 265.81 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 62528407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).