N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine

C17H23NOS — CID 66241993

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
SMILESCCc1ccc(C(C)NC(C)c2ccc(OC)cc2)s1
InChIInChI=1S/C17H23NOS/c1-5-16-10-11-17(20-16)13(3)18-12(2)14-6-8-15(19-4)9-7-14/h6-13,18H,5H2,1-4H3
InChIKeyNAWYKHRLYFPTTK-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.73
Rot. Bonds6

About N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine

N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 66241993) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID66241993
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
SMILESCCc1ccc(C(C)NC(C)c2ccc(OC)cc2)s1
InChIInChI=1S/C17H23NOS/c1-5-16-10-11-17(20-16)13(3)18-12(2)14-6-8-15(19-4)9-7-14/h6-13,18H,5H2,1-4H3
InChIKeyNAWYKHRLYFPTTK-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351461
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43692555
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
1-(5-ethylthiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 61334131
1-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43480803
(1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
CID 81382264
1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63431464
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline
CID 61333163
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine
CID 81370732
1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 61336092
2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945989

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine (CID 66241993) is N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine is CCc1ccc(C(C)NC(C)c2ccc(OC)cc2)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is NAWYKHRLYFPTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-5-16-10-11-17(20-16)13(3)18-12(2)14-6-8-15(19-4)9-7-14/h6-13,18H,5H2,1-4H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine?
N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 289.44 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 66241993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).