N-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine

C17H23NS — CID 115856961

IUPACN-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine
SMILESCCC(c1ccccc1)C(CCc1ccsc1)NC
InChIInChI=1S/C17H23NS/c1-3-16(15-7-5-4-6-8-15)17(18-2)10-9-14-11-12-19-13-14/h4-8,11-13,16-18H,3,9-10H2,1-2H3
InChIKeyPMUQECYXVGFYPH-UHFFFAOYSA-N
MW273.45 g/mol
LogP4.46
Rot. Bonds7

About N-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine

N-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine (PubChem CID 115856961) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is N-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine.

Molecular Properties

Compound NameN-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine
PubChem CID115856961
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC NameN-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine
SMILESCCC(c1ccccc1)C(CCc1ccsc1)NC
InChIInChI=1S/C17H23NS/c1-3-16(15-7-5-4-6-8-15)17(18-2)10-9-14-11-12-19-13-14/h4-8,11-13,16-18H,3,9-10H2,1-2H3
InChIKeyPMUQECYXVGFYPH-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine
CID 115845128
N-methyl-1,5-diphenylheptan-4-amine
CID 115849452
4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine
CID 116716710
N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
CID 61078547
2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine
CID 43734672
N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748
N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide
CID 78801224
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899
1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 62319829
3-[2-(3,3-diphenylpropoxy)ethyl]thiophene
CID 101402124
4-ethoxy-N-ethyl-1-thiophen-3-ylpentan-3-amine
CID 64535420

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine?
The IUPAC name of N-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine (CID 115856961) is N-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine.
What is the SMILES notation for N-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine?
The canonical SMILES for N-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine is CCC(c1ccccc1)C(CCc1ccsc1)NC.
What is the InChIKey of N-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine?
The InChIKey is PMUQECYXVGFYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-3-16(15-7-5-4-6-8-15)17(18-2)10-9-14-11-12-19-13-14/h4-8,11-13,16-18H,3,9-10H2,1-2H3.
What are the key properties of N-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine?
N-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine has a molecular weight of 273.45 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-1-thiophen-3-ylhexan-3-amine is sourced from PubChem (CID 115856961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).