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

C16H17Cl2NS — CID 43288281

IUPACN-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNC(c1ccc(-c2ccc(Cl)c(Cl)c2)s1)C1CC1
InChIInChI=1S/C16H17Cl2NS/c1-2-19-16(10-3-4-10)15-8-7-14(20-15)11-5-6-12(17)13(18)9-11/h5-10,16,19H,2-4H2,1H3
InChIKeyBVKUADDXUKUHEG-UHFFFAOYSA-N
MW326.29 g/mol
LogP5.78
Rot. Bonds5

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

N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 43288281) has the molecular formula C16H17Cl2NS and a molecular weight of 326.29 g/mol. Its IUPAC name is N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine
PubChem CID43288281
Molecular FormulaC16H17Cl2NS
Molecular Weight326.29 g/mol
Exact Mass325.05
IUPAC NameN-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNC(c1ccc(-c2ccc(Cl)c(Cl)c2)s1)C1CC1
InChIInChI=1S/C16H17Cl2NS/c1-2-19-16(10-3-4-10)15-8-7-14(20-15)11-5-6-12(17)13(18)9-11/h5-10,16,19H,2-4H2,1H3
InChIKeyBVKUADDXUKUHEG-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.29
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-[5-(4-iodophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288082
N-[cyclopropyl-[5-(3-fluoro-4-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287726
N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 107577053
N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43288356
N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 81287372
N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine
CID 63401070
N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine
CID 102763969
N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine
CID 63400645
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
CID 107368903
N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine
CID 63508833
N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine
CID 107589464
N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine
CID 63400483

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine (CID 43288281) is N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine is CCNC(c1ccc(-c2ccc(Cl)c(Cl)c2)s1)C1CC1.
What is the InChIKey of N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is BVKUADDXUKUHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NS/c1-2-19-16(10-3-4-10)15-8-7-14(20-15)11-5-6-12(17)13(18)9-11/h5-10,16,19H,2-4H2,1H3.
What are the key properties of N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine?
N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 326.29 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 43288281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).