N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine

C18H25NS — CID 105150411

IUPACN-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine
SMILESCCNC(CCc1cccc(C)c1)CCc1cccs1
InChIInChI=1S/C18H25NS/c1-3-19-17(11-12-18-8-5-13-20-18)10-9-16-7-4-6-15(2)14-16/h4-8,13-14,17,19H,3,9-12H2,1-2H3
InChIKeyHXECRHIIUUFYJV-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.60
Rot. Bonds8

About N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine

N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine (PubChem CID 105150411) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine
PubChem CID105150411
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC NameN-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine
SMILESCCNC(CCc1cccc(C)c1)CCc1cccs1
InChIInChI=1S/C18H25NS/c1-3-19-17(11-12-18-8-5-13-20-18)10-9-16-7-4-6-15(2)14-16/h4-8,13-14,17,19H,3,9-12H2,1-2H3
InChIKeyHXECRHIIUUFYJV-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 63528646
4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine
CID 61169939
N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
CID 79952596
1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 79087726
N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine
CID 105108675
N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine
CID 115860879
N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128461
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 115861194
N-ethyl-1-propoxy-4-thiophen-2-ylbutan-2-amine
CID 63775940
N-ethyl-1-propylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128746
N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65143428

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine (CID 105150411) is N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine is CCNC(CCc1cccc(C)c1)CCc1cccs1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine?
The InChIKey is HXECRHIIUUFYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-3-19-17(11-12-18-8-5-13-20-18)10-9-16-7-4-6-15(2)14-16/h4-8,13-14,17,19H,3,9-12H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine?
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine has a molecular weight of 287.47 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine is sourced from PubChem (CID 105150411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).