N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine

C15H18ClNOS — CID 43439053

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(C)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C15H18ClNOS/c1-10(12-6-4-5-7-13(12)18-3)17-11(2)14-8-9-15(16)19-14/h4-11,17H,1-3H3
InChIKeyCNLRNIYXNKLWCR-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.82
Rot. Bonds5

About N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine (PubChem CID 43439053) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
PubChem CID43439053
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(C)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C15H18ClNOS/c1-10(12-6-4-5-7-13(12)18-3)17-11(2)14-8-9-15(16)19-14/h4-11,17H,1-3H3
InChIKeyCNLRNIYXNKLWCR-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81397564
(1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 81377961
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43692550
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43427109
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43692555
(1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81375983
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine
CID 115708442
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine
CID 43438937
1-(3,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81388533

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine (CID 43439053) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine is COc1ccccc1C(C)NC(C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine?
The InChIKey is CNLRNIYXNKLWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-10(12-6-4-5-7-13(12)18-3)17-11(2)14-8-9-15(16)19-14/h4-11,17H,1-3H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine has a molecular weight of 295.84 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 43439053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).