1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine

C13H22ClNS — CID 102763473

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H22ClNS/c1-4-6-10(7-5-2)12(15)11-8-9(3)13(14)16-11/h8,10,12H,4-7,15H2,1-3H3
InChIKeyQLNLIQJITWAAFE-UHFFFAOYSA-N
MW259.85 g/mol
LogP4.93
Rot. Bonds6

About 1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine

1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine (PubChem CID 102763473) has the molecular formula C13H22ClNS and a molecular weight of 259.85 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine
PubChem CID102763473
Molecular FormulaC13H22ClNS
Molecular Weight259.85 g/mol
Exact Mass259.12
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H22ClNS/c1-4-6-10(7-5-2)12(15)11-8-9(3)13(14)16-11/h8,10,12H,4-7,15H2,1-3H3
InChIKeyQLNLIQJITWAAFE-UHFFFAOYSA-N
XLogP4.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.85
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-4-methylthiophen-2-yl)dodecan-1-amine
CID 102763389
2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene
CID 102764764
1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine
CID 82985514
1-(5-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 102764394
1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine
CID 102763474
1-(4,5-dimethylthiophen-2-yl)-2-ethylbutan-1-amine
CID 105013994
ethyl 4-amino-4-(5-chloro-4-methylthiophen-2-yl)butanoate
CID 102764305
6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide
CID 102764308
N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102764194
1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine
CID 79992174
1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine
CID 102764036
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine (CID 102763473) is 1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine is CCCC(CCC)C(N)c1cc(C)c(Cl)s1.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine?
The InChIKey is QLNLIQJITWAAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNS/c1-4-6-10(7-5-2)12(15)11-8-9(3)13(14)16-11/h8,10,12H,4-7,15H2,1-3H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine?
1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine has a molecular weight of 259.85 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine is sourced from PubChem (CID 102763473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).