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

C17H23NS — CID 105094221

IUPACN-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
SMILESCNC(CCCc1cccs1)CCc1ccccc1
InChIInChI=1S/C17H23NS/c1-18-16(9-5-10-17-11-6-14-19-17)13-12-15-7-3-2-4-8-15/h2-4,6-8,11,14,16,18H,5,9-10,12-13H2,1H3
InChIKeyPFDGNHCUJRIGHY-UHFFFAOYSA-N
MW273.45 g/mol
LogP4.29
Rot. Bonds8

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

N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine (PubChem CID 105094221) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
PubChem CID105094221
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC NameN-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
SMILESCNC(CCCc1cccs1)CCc1ccccc1
InChIInChI=1S/C17H23NS/c1-18-16(9-5-10-17-11-6-14-19-17)13-12-15-7-3-2-4-8-15/h2-4,6-8,11,14,16,18H,5,9-10,12-13H2,1H3
InChIKeyPFDGNHCUJRIGHY-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-6-phenyl-1-thiophen-2-ylhexan-3-amine
CID 105150151
N-methyl-1-(2-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 61065069
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105113307
N-methyl-1-thiophen-2-yldodecan-3-amine
CID 115860959
1-cyclopropyl-N-methyl-6-thiophen-2-ylhexan-3-amine
CID 105157838
1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 63527812
6-methoxy-N-methyl-1-phenylhexan-3-amine
CID 62602732
2-(8-phenyloct-4-enyl)thiophene
CID 70351967
1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 105178932
N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine
CID 81023830
N-methyl-6-phenyl-1-pyridin-3-ylhexan-3-amine
CID 105139816

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine?
The IUPAC name of N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine (CID 105094221) is N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine.
What is the SMILES notation for N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine?
The canonical SMILES for N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine is CNC(CCCc1cccs1)CCc1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine?
The InChIKey is PFDGNHCUJRIGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-18-16(9-5-10-17-11-6-14-19-17)13-12-15-7-3-2-4-8-15/h2-4,6-8,11,14,16,18H,5,9-10,12-13H2,1H3.
What are the key properties of N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine?
N-methyl-1-phenyl-6-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-1-phenyl-6-thiophen-2-ylhexan-3-amine is sourced from PubChem (CID 105094221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).