N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine

C14H15Cl2NOS — CID 43493094

IUPACN-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H15Cl2NOS/c1-3-17-13(11-8-12(15)19-14(11)16)9-5-4-6-10(7-9)18-2/h4-8,13,17H,3H2,1-2H3
InChIKeyXVWYPJHVINLBPJ-UHFFFAOYSA-N
MW316.25 g/mol
LogP4.76
Rot. Bonds5

About N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine

N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine (PubChem CID 43493094) has the molecular formula C14H15Cl2NOS and a molecular weight of 316.25 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine
PubChem CID43493094
Molecular FormulaC14H15Cl2NOS
Molecular Weight316.25 g/mol
Exact Mass315.03
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H15Cl2NOS/c1-3-17-13(11-8-12(15)19-14(11)16)9-5-4-6-10(7-9)18-2/h4-8,13,17H,3H2,1-2H3
InChIKeyXVWYPJHVINLBPJ-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107968848
N-[(3-cyclopropyloxyphenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969279
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 61030140
N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 64712795
3-[bromo-(3-methoxyphenyl)methyl]-2,5-dichlorothiophene
CID 55197831
N-[(2-chloro-4,5-difluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107476523
N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 105394636
N-[(2,5-dichlorothiophen-3-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 107960770
N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 80529194
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
N-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 107960737
N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43493136

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine (CID 43493094) is N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OC)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is XVWYPJHVINLBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NOS/c1-3-17-13(11-8-12(15)19-14(11)16)9-5-4-6-10(7-9)18-2/h4-8,13,17H,3H2,1-2H3.
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine?
N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 316.25 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43493094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).