N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine

C13H23NOS — CID 105134154

IUPACN-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine
SMILESCCNC(Cc1cccs1)CC(C)COC
InChIInChI=1S/C13H23NOS/c1-4-14-12(8-11(2)10-15-3)9-13-6-5-7-16-13/h5-7,11-12,14H,4,8-10H2,1-3H3
InChIKeyRWCDFMKDXPVMQP-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.94
Rot. Bonds8

About N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine

N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine (PubChem CID 105134154) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine
PubChem CID105134154
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC NameN-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine
SMILESCCNC(Cc1cccs1)CC(C)COC
InChIInChI=1S/C13H23NOS/c1-4-14-12(8-11(2)10-15-3)9-13-6-5-7-16-13/h5-7,11-12,14H,4,8-10H2,1-3H3
InChIKeyRWCDFMKDXPVMQP-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574610
N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine
CID 61065868
(6-methoxy-5-methyl-1-thiophen-2-ylhexan-3-yl)hydrazine
CID 105308985
N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine
CID 115860879
N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 105091118
N-ethyl-5-methoxy-4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
CID 105159007
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine
CID 95366277
N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine
CID 65129208
1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine
CID 65132452
N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine
CID 61000963
4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine
CID 115723916

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine?
The IUPAC name of N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine (CID 105134154) is N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine?
The canonical SMILES for N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine is CCNC(Cc1cccs1)CC(C)COC.
What is the InChIKey of N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine?
The InChIKey is RWCDFMKDXPVMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-4-14-12(8-11(2)10-15-3)9-13-6-5-7-16-13/h5-7,11-12,14H,4,8-10H2,1-3H3.
What are the key properties of N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine?
N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 105134154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).