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

C18H25NS — CID 63528646

IUPACN-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine
SMILESCCNC(CCCc1cccs1)Cc1cccc(C)c1
InChIInChI=1S/C18H25NS/c1-3-19-17(9-5-10-18-11-6-12-20-18)14-16-8-4-7-15(2)13-16/h4,6-8,11-13,17,19H,3,5,9-10,14H2,1-2H3
InChIKeyUVIXZDHKFPOXFD-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.60
Rot. Bonds8

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

N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine (PubChem CID 63528646) 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-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine
PubChem CID63528646
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC NameN-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine
SMILESCCNC(CCCc1cccs1)Cc1cccc(C)c1
InChIInChI=1S/C18H25NS/c1-3-19-17(9-5-10-18-11-6-12-20-18)14-16-8-4-7-15(2)13-16/h4,6-8,11-13,17,19H,3,5,9-10,14H2,1-2H3
InChIKeyUVIXZDHKFPOXFD-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-3-amine
CID 105150411
2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene
CID 63543569
N-ethyl-1-(5-ethylthiophen-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105136134
1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105151513
N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine
CID 105091227
N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine
CID 105163184
N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105152716
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine
CID 115003052
1-cyclopentyl-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105139096
N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164597
4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine
CID 61169939

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine (CID 63528646) is N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine is CCNC(CCCc1cccs1)Cc1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine?
The InChIKey is UVIXZDHKFPOXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-3-19-17(9-5-10-18-11-6-12-20-18)14-16-8-4-7-15(2)13-16/h4,6-8,11-13,17,19H,3,5,9-10,14H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine?
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-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-2-amine is sourced from PubChem (CID 63528646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).