N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine

C14H16ClNOS — CID 80529194

IUPACN-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1sccc1Cl
InChIInChI=1S/C14H16ClNOS/c1-3-16-13(14-12(15)7-8-18-14)10-5-4-6-11(9-10)17-2/h4-9,13,16H,3H2,1-2H3
InChIKeyLTTYNJRGNQJRNK-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.11
Rot. Bonds5

About N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine

N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine (PubChem CID 80529194) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine
PubChem CID80529194
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC NameN-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1sccc1Cl
InChIInChI=1S/C14H16ClNOS/c1-3-16-13(14-12(15)7-8-18-14)10-5-4-6-11(9-10)17-2/h4-9,13,16H,3H2,1-2H3
InChIKeyLTTYNJRGNQJRNK-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methyl]ethanamine
CID 80528916
N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55007060
N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115854136
N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine
CID 105050526
N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 80528896
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 61030140
N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 115785668
N-[(3-chlorothiophen-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 80529029
N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 64712795
N-[(2-chloro-4,5-difluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107476523
N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 105394636
N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 79989146

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine (CID 80529194) is N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OC)c1)c1sccc1Cl.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is LTTYNJRGNQJRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-3-16-13(14-12(15)7-8-18-14)10-5-4-6-11(9-10)17-2/h4-9,13,16H,3H2,1-2H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 281.81 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 80529194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).