N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine

C13H23NOS — CID 102840306

IUPACN-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine
SMILESCCNC(CCC(C)OC)c1ccsc1C
InChIInChI=1S/C13H23NOS/c1-5-14-13(7-6-10(2)15-4)12-8-9-16-11(12)3/h8-10,13-14H,5-7H2,1-4H3
InChIKeyTTWHKIYXURDQQA-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.52
Rot. Bonds7

About N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine

N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine (PubChem CID 102840306) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine
PubChem CID102840306
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC NameN-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine
SMILESCCNC(CCC(C)OC)c1ccsc1C
InChIInChI=1S/C13H23NOS/c1-5-14-13(7-6-10(2)15-4)12-8-9-16-11(12)3/h8-10,13-14H,5-7H2,1-4H3
InChIKeyTTWHKIYXURDQQA-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105145249
N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102840839
N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine
CID 102833204
N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102831917
N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine
CID 105145424
1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105167364
2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102833842
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 105180487
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832315
N-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102831979
N-ethyl-1-(furan-3-yl)-4-methoxypentan-1-amine
CID 105146658
N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine
CID 105184380

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine (CID 102840306) is N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine is CCNC(CCC(C)OC)c1ccsc1C.
What is the InChIKey of N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine?
The InChIKey is TTWHKIYXURDQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-5-14-13(7-6-10(2)15-4)12-8-9-16-11(12)3/h8-10,13-14H,5-7H2,1-4H3.
What are the key properties of N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine?
N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine is sourced from PubChem (CID 102840306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).