N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine

C18H25NS — CID 43490571

IUPACN-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine
SMILESCCNC(c1cccs1)C(c1ccccc1)C(C)CC
InChIInChI=1S/C18H25NS/c1-4-14(3)17(15-10-7-6-8-11-15)18(19-5-2)16-12-9-13-20-16/h6-14,17-19H,4-5H2,1-3H3
InChIKeyWVIBYOWRIFKEII-UHFFFAOYSA-N
MW287.47 g/mol
LogP5.23
Rot. Bonds7

About N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine

N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine (PubChem CID 43490571) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine
PubChem CID43490571
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC NameN-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine
SMILESCCNC(c1cccs1)C(c1ccccc1)C(C)CC
InChIInChI=1S/C18H25NS/c1-4-14(3)17(15-10-7-6-8-11-15)18(19-5-2)16-12-9-13-20-16/h6-14,17-19H,4-5H2,1-3H3
InChIKeyWVIBYOWRIFKEII-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine
CID 43495942
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine
CID 115854389
N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine
CID 115846349
N-ethyl-5-methyl-4-phenylhept-1-yn-3-amine
CID 104995781
1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine
CID 80534878
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine
CID 105029498
N-[(4-phenylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43489570
N-ethyl-7-methyl-6-phenylnon-1-en-5-amine
CID 104987637
2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 43708998

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine (CID 43490571) is N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine is CCNC(c1cccs1)C(c1ccccc1)C(C)CC.
What is the InChIKey of N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine?
The InChIKey is WVIBYOWRIFKEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-4-14(3)17(15-10-7-6-8-11-15)18(19-5-2)16-12-9-13-20-16/h6-14,17-19H,4-5H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine?
N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine is sourced from PubChem (CID 43490571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).