(1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine

C15H18ClNOS — CID 81375983

IUPAC(1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NC(C)c2ccc(Cl)s2)c1
InChIInChI=1S/C15H18ClNOS/c1-10(12-5-4-6-13(9-12)18-3)17-11(2)14-7-8-15(16)19-14/h4-11,17H,1-3H3/t10-,11?/m1/s1
InChIKeyIKYSLMJCEBMFBP-NFJWQWPMSA-N
MW295.84 g/mol
LogP4.82
Rot. Bonds5

About (1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine

(1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 81375983) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is (1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID81375983
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name(1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NC(C)c2ccc(Cl)s2)c1
InChIInChI=1S/C15H18ClNOS/c1-10(12-5-4-6-13(9-12)18-3)17-11(2)14-7-8-15(16)19-14/h4-11,17H,1-3H3/t10-,11?/m1/s1
InChIKeyIKYSLMJCEBMFBP-NFJWQWPMSA-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)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81376210
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43692555
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
(1R)-N-[1-(4-bromothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 107354466
1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 113260329
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81376233
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43674153
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81354846
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43439053
(1R)-N-[1-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382583

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine (CID 81375983) is (1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@@H](C)NC(C)c2ccc(Cl)s2)c1.
What is the InChIKey of (1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is IKYSLMJCEBMFBP-NFJWQWPMSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-10(12-5-4-6-13(9-12)18-3)17-11(2)14-7-8-15(16)19-14/h4-11,17H,1-3H3/t10-,11?/m1/s1.
What are the key properties of (1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine?
(1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-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 (1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 81375983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).