N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine

C15H18ClNS — CID 43495939

IUPACN-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Cl)c1cccs1
InChIInChI=1S/C15H18ClNS/c1-2-9-17-14(15-8-5-10-18-15)11-12-6-3-4-7-13(12)16/h3-8,10,14,17H,2,9,11H2,1H3
InChIKeySNPXONMTDTUXEV-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.68
Rot. Bonds6

About N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine

N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine (PubChem CID 43495939) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine
PubChem CID43495939
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC NameN-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Cl)c1cccs1
InChIInChI=1S/C15H18ClNS/c1-2-9-17-14(15-8-5-10-18-15)11-12-6-3-4-7-13(12)16/h3-8,10,14,17H,2,9,11H2,1H3
InChIKeySNPXONMTDTUXEV-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63798111
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 80532042
N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495095
N-[2-(2-chlorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527893
N-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 63528586
N-[2-(2-chlorophenyl)-1-(3,5-dimethylphenyl)ethyl]propan-1-amine
CID 63415367
3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 43495958
N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine
CID 107973808
N-[1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 105394824
N-propyl-1-thiophen-2-ylpent-4-yn-1-amine
CID 63657512
N-ethyl-2-(2-methylphenyl)-1-thiophen-2-ylethanamine
CID 43490566
N-[2-(3-bromothiophen-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62608324

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine (CID 43495939) is N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine is CCCNC(Cc1ccccc1Cl)c1cccs1.
What is the InChIKey of N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is SNPXONMTDTUXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-2-9-17-14(15-8-5-10-18-15)11-12-6-3-4-7-13(12)16/h3-8,10,14,17H,2,9,11H2,1H3.
What are the key properties of N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine?
N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine has a molecular weight of 279.84 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine is sourced from PubChem (CID 43495939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).