N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine

C17H15Cl2NS — CID 43493136

IUPACN-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine
SMILESCCNC(c1cc(Cl)sc1Cl)c1cccc2ccccc12
InChIInChI=1S/C17H15Cl2NS/c1-2-20-16(14-10-15(18)21-17(14)19)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,16,20H,2H2,1H3
InChIKeyUZFLNAKZNZRWMQ-UHFFFAOYSA-N
MW336.29 g/mol
LogP5.91
Rot. Bonds4

About N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine

N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine (PubChem CID 43493136) has the molecular formula C17H15Cl2NS and a molecular weight of 336.29 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine
PubChem CID43493136
Molecular FormulaC17H15Cl2NS
Molecular Weight336.29 g/mol
Exact Mass335.03
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine
SMILESCCNC(c1cc(Cl)sc1Cl)c1cccc2ccccc12
InChIInChI=1S/C17H15Cl2NS/c1-2-20-16(14-10-15(18)21-17(14)19)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,16,20H,2H2,1H3
InChIKeyUZFLNAKZNZRWMQ-UHFFFAOYSA-N
XLogP5.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.29
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493123
N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 63507972
N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 43497806
3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene
CID 63444904
N-[(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493036
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969347
N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107968848
N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 43493094
N-[(5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107961101
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 107961214
1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 107968230
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine (CID 43493136) is N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine is CCNC(c1cc(Cl)sc1Cl)c1cccc2ccccc12.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine?
The InChIKey is UZFLNAKZNZRWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NS/c1-2-20-16(14-10-15(18)21-17(14)19)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,16,20H,2H2,1H3.
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine?
N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine has a molecular weight of 336.29 g/mol, XLogP of 5.91, 4 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)-naphthalen-1-ylmethyl]ethanamine is sourced from PubChem (CID 43493136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).