2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine

C15H26ClNS — CID 63508597

IUPAC2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)(CNCC)Cc1ccc(Cl)s1
InChIInChI=1S/C15H26ClNS/c1-4-7-10-15(5-2,12-17-6-3)11-13-8-9-14(16)18-13/h8-9,17H,4-7,10-12H2,1-3H3
InChIKeyFTCURFCPPOSSKW-UHFFFAOYSA-N
MW287.90 g/mol
LogP5.14
Rot. Bonds9

About 2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine

2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine (PubChem CID 63508597) has the molecular formula C15H26ClNS and a molecular weight of 287.90 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine
PubChem CID63508597
Molecular FormulaC15H26ClNS
Molecular Weight287.90 g/mol
Exact Mass287.15
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)(CNCC)Cc1ccc(Cl)s1
InChIInChI=1S/C15H26ClNS/c1-4-7-10-15(5-2,12-17-6-3)11-13-8-9-14(16)18-13/h8-9,17H,4-7,10-12H2,1-3H3
InChIKeyFTCURFCPPOSSKW-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.90
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 102619893
N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 55195481
2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 63507037
2-chloro-5-(2-ethyl-2-methylheptyl)thiophene
CID 130455839
2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
CID 63508262
2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol
CID 106508322
1-(5-chlorothiophen-2-yl)-2-methylheptan-2-ol
CID 80557726
N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine
CID 105374931
N-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine
CID 63494592
2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 55197007
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine
CID 64777521
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103698467

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine (CID 63508597) is 2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine is CCCCC(CC)(CNCC)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine?
The InChIKey is FTCURFCPPOSSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNS/c1-4-7-10-15(5-2,12-17-6-3)11-13-8-9-14(16)18-13/h8-9,17H,4-7,10-12H2,1-3H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine?
2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine has a molecular weight of 287.90 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine is sourced from PubChem (CID 63508597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).