N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine

C17H23NS — CID 105150151

IUPACN-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine
SMILESCNC(CCCc1ccccc1)CCc1cccs1
InChIInChI=1S/C17H23NS/c1-18-16(12-13-17-11-6-14-19-17)10-5-9-15-7-3-2-4-8-15/h2-4,6-8,11,14,16,18H,5,9-10,12-13H2,1H3
InChIKeyHWEDVKSYPWFXKW-UHFFFAOYSA-N
MW273.45 g/mol
LogP4.29
Rot. Bonds8

About N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine

N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine (PubChem CID 105150151) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine.

Molecular Properties

Compound NameN-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine
PubChem CID105150151
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC NameN-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine
SMILESCNC(CCCc1ccccc1)CCc1cccs1
InChIInChI=1S/C17H23NS/c1-18-16(12-13-17-11-6-14-19-17)10-5-9-15-7-3-2-4-8-15/h2-4,6-8,11,14,16,18H,5,9-10,12-13H2,1H3
InChIKeyHWEDVKSYPWFXKW-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
CID 105094221
N-methyl-1-thiophen-2-yldodecan-3-amine
CID 115860959
N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105113307
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
1-cyclopropyl-N-methyl-6-thiophen-2-ylhexan-3-amine
CID 105157838
N-methyl-1-(2-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 61065069
N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65131658
N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine
CID 105150190
1-methoxy-N-methyl-6-phenylhexan-3-amine
CID 62605190
2-(8-phenyloct-4-enyl)thiophene
CID 70351967
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 63775568

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine?
The IUPAC name of N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine (CID 105150151) is N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine.
What is the SMILES notation for N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine?
The canonical SMILES for N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine is CNC(CCCc1ccccc1)CCc1cccs1.
What is the InChIKey of N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine?
The InChIKey is HWEDVKSYPWFXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-18-16(12-13-17-11-6-14-19-17)10-5-9-15-7-3-2-4-8-15/h2-4,6-8,11,14,16,18H,5,9-10,12-13H2,1H3.
What are the key properties of N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine?
N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine has a molecular weight of 273.45 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine is sourced from PubChem (CID 105150151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).