1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine

C14H24ClNS — CID 115841697

IUPAC1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccc(Cl)s1)CC(C)CC
InChIInChI=1S/C14H24ClNS/c1-4-8-16-12(9-11(3)5-2)10-13-6-7-14(15)17-13/h6-7,11-12,16H,4-5,8-10H2,1-3H3
InChIKeyNKYGLPUCLJMYMX-UHFFFAOYSA-N
MW273.87 g/mol
LogP4.75
Rot. Bonds8

About 1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine

1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine (PubChem CID 115841697) has the molecular formula C14H24ClNS and a molecular weight of 273.87 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine
PubChem CID115841697
Molecular FormulaC14H24ClNS
Molecular Weight273.87 g/mol
Exact Mass273.13
IUPAC Name1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccc(Cl)s1)CC(C)CC
InChIInChI=1S/C14H24ClNS/c1-4-8-16-12(9-11(3)5-2)10-13-6-7-14(15)17-13/h6-7,11-12,16H,4-5,8-10H2,1-3H3
InChIKeyNKYGLPUCLJMYMX-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.87
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562
1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine
CID 115841634
1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine
CID 63560615
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 63416020
1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 63417307
1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine
CID 107312099
1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475919
1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 115841192
N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine
CID 115905549
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63412241
1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-propyl-3-(trifluoromethyl)butan-2-amine
CID 103311839
1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 63419898

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine (CID 115841697) is 1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine is CCCNC(Cc1ccc(Cl)s1)CC(C)CC.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine?
The InChIKey is NKYGLPUCLJMYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNS/c1-4-8-16-12(9-11(3)5-2)10-13-6-7-14(15)17-13/h6-7,11-12,16H,4-5,8-10H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine?
1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine has a molecular weight of 273.87 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 115841697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).