N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine

C10H16ClNS — CID 102764194

IUPACN-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(C)c(Cl)s1
InChIInChI=1S/C10H16ClNS/c1-4-5-12-8(3)9-6-7(2)10(11)13-9/h6,8,12H,4-5H2,1-3H3
InChIKeyROEPNMAVTWIHDD-UHFFFAOYSA-N
MW217.76 g/mol
LogP3.77
Rot. Bonds4

About N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine

N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 102764194) has the molecular formula C10H16ClNS and a molecular weight of 217.76 g/mol. Its IUPAC name is N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID102764194
Molecular FormulaC10H16ClNS
Molecular Weight217.76 g/mol
Exact Mass217.07
IUPAC NameN-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(C)c(Cl)s1
InChIInChI=1S/C10H16ClNS/c1-4-5-12-8(3)9-6-7(2)10(11)13-9/h6,8,12H,4-5H2,1-3H3
InChIKeyROEPNMAVTWIHDD-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.76
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-4-methylthiophen-2-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 102764092
N-[(5-chloro-4-methylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 102764112
N-[1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 102764061
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 102764212
N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 102764082
N-[(5-chloro-4-methylthiophen-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 102764197
N-[(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 102764221
N-[(5-chloro-4-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methyl]propan-1-amine
CID 102764059
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
1-(5-chloro-4-methylthiophen-2-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207998
N-[(2-chloro-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]propan-1-amine
CID 102764118
2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene
CID 102764764

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine (CID 102764194) is N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine is CCCNC(C)c1cc(C)c(Cl)s1.
What is the InChIKey of N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is ROEPNMAVTWIHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNS/c1-4-5-12-8(3)9-6-7(2)10(11)13-9/h6,8,12H,4-5H2,1-3H3.
What are the key properties of N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine?
N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 217.76 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102764194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).