N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine

C17H23NS — CID 114333451

IUPACN-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine
SMILESCCc1ccsc1CNCCCCc1ccccc1
InChIInChI=1S/C17H23NS/c1-2-16-11-13-19-17(16)14-18-12-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,11,13,18H,2,6-7,10,12,14H2,1H3
InChIKeyFIKXSVJFOGUDJE-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.42
Rot. Bonds8

About N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine

N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine (PubChem CID 114333451) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine
PubChem CID114333451
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine
SMILESCCc1ccsc1CNCCCCc1ccccc1
InChIInChI=1S/C17H23NS/c1-2-16-11-13-19-17(16)14-18-12-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,11,13,18H,2,6-7,10,12,14H2,1H3
InChIKeyFIKXSVJFOGUDJE-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-diethylthiophene;ethylbenzene;propane
CID 159721610
N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 113411481
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide
CID 114385097
2-[(2-phenylethylamino)methyl]thiophen-3-amine
CID 66386306
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
5-phenyl-N-propylpentan-1-amine
CID 62530615
N-[(4-methylthiophen-3-yl)methyl]-4-phenylbutan-1-amine
CID 114333452
2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
2-chloro-N-(4-phenylbutyl)butan-1-amine
CID 114334752

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine (CID 114333451) is N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine is CCc1ccsc1CNCCCCc1ccccc1.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine?
The InChIKey is FIKXSVJFOGUDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-2-16-11-13-19-17(16)14-18-12-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,11,13,18H,2,6-7,10,12,14H2,1H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine?
N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine is sourced from PubChem (CID 114333451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).