N-[(4-chlorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine

C14H16ClNS — CID 4868416

IUPACN-[(4-chlorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNS/c1-11(9-14-3-2-8-17-14)16-10-12-4-6-13(15)7-5-12/h2-8,11,16H,9-10H2,1H3
InChIKeyANEQQKLNDYNTER-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.12
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine

N-[(4-chlorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 4868416) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID4868416
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC NameN-[(4-chlorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNS/c1-11(9-14-3-2-8-17-14)16-10-12-4-6-13(15)7-5-12/h2-8,11,16H,9-10H2,1H3
InChIKeyANEQQKLNDYNTER-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine (CID 4868416) is N-[(4-chlorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine is CC(Cc1cccs1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is ANEQQKLNDYNTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-11(9-14-3-2-8-17-14)16-10-12-4-6-13(15)7-5-12/h2-8,11,16H,9-10H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
N-[(4-chlorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 265.81 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 4868416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).