N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline

C15H18ClNS — CID 43381990

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NC(C)c1ccc(Cl)s1
InChIInChI=1S/C15H18ClNS/c1-10(2)12-6-4-5-7-13(12)17-11(3)14-8-9-15(16)18-14/h4-11,17H,1-3H3
InChIKeyNAQGCKNDMNITOX-UHFFFAOYSA-N
MW279.84 g/mol
LogP5.70
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline (PubChem CID 43381990) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline
PubChem CID43381990
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NC(C)c1ccc(Cl)s1
InChIInChI=1S/C15H18ClNS/c1-10(2)12-6-4-5-7-13(12)17-11(3)14-8-9-15(16)18-14/h4-11,17H,1-3H3
InChIKeyNAQGCKNDMNITOX-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.84
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 43683406
2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43439175
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline
CID 43438953
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
CID 43439198
3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 104540086
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine
CID 61472818
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine
CID 43438935
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
(1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 81377961
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43692550
2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzonitrile
CID 104716465

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline (CID 43381990) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline is CC(C)c1ccccc1NC(C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline?
The InChIKey is NAQGCKNDMNITOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-10(2)12-6-4-5-7-13(12)17-11(3)14-8-9-15(16)18-14/h4-11,17H,1-3H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline has a molecular weight of 279.84 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline is sourced from PubChem (CID 43381990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).