N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine

C15H17Cl2NS — CID 43497806

IUPACN-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H17Cl2NS/c1-3-8-18-14(11-7-5-4-6-10(11)2)12-9-13(16)19-15(12)17/h4-7,9,14,18H,3,8H2,1-2H3
InChIKeyTVIAXSICBWCURI-UHFFFAOYSA-N
MW314.28 g/mol
LogP5.45
Rot. Bonds5

About N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine

N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine (PubChem CID 43497806) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine
PubChem CID43497806
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H17Cl2NS/c1-3-8-18-14(11-7-5-4-6-10(11)2)12-9-13(16)19-15(12)17/h4-7,9,14,18H,3,8H2,1-2H3
InChIKeyTVIAXSICBWCURI-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.28
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dichlorothiophen-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 107968400
[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]hydrazine
CID 107970076
N-[(2-chloro-4,5-dimethylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115484214
N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43493136
N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497805
N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 43497750
N-[(2,5-dichlorothiophen-3-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 107968804
N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 81155528
N-[(2,5-dichlorothiophen-3-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820113
N-[(4-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 107968705
N-[(5-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497754
N-[(2-bromophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493123

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine (CID 43497806) is N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1C)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine?
The InChIKey is TVIAXSICBWCURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS/c1-3-8-18-14(11-7-5-4-6-10(11)2)12-9-13(16)19-15(12)17/h4-7,9,14,18H,3,8H2,1-2H3.
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine?
N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine has a molecular weight of 314.28 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43497806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).