N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine

C14H15Cl2NS — CID 65316175

IUPACN-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2NS/c1-10(6-11-4-5-18-9-11)17-8-12-7-13(15)2-3-14(12)16/h2-5,7,9-10,17H,6,8H2,1H3
InChIKeyVZEMXOHPBSOHAL-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.78
Rot. Bonds5

About N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine

N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 65316175) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID65316175
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2NS/c1-10(6-11-4-5-18-9-11)17-8-12-7-13(15)2-3-14(12)16/h2-5,7,9-10,17H,6,8H2,1H3
InChIKeyVZEMXOHPBSOHAL-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821
1-thiophen-3-yl-N-[(2,3,6-trichlorophenyl)methyl]propan-2-amine
CID 78943901
3-chloro-4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]benzonitrile
CID 102664253
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54952882
1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 62049139
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61473177
N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54953234
N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223934
N-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222636
N-(5-chloro-2-methylphenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61474079
N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 65323547
N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine
CID 66159290

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine (CID 65316175) is N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NCc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is VZEMXOHPBSOHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-10(6-11-4-5-18-9-11)17-8-12-7-13(15)2-3-14(12)16/h2-5,7,9-10,17H,6,8H2,1H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 300.25 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 65316175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).