3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline

C15H18ClNS — CID 55186067

IUPAC3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline
SMILESCCc1ccc(C(C)Nc2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C15H18ClNS/c1-4-13-7-8-15(18-13)11(3)17-12-6-5-10(2)14(16)9-12/h5-9,11,17H,4H2,1-3H3
InChIKeyFNGYUMQJXMSSLE-UHFFFAOYSA-N
MW279.84 g/mol
LogP5.45
Rot. Bonds4

About 3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline

3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline (PubChem CID 55186067) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline
PubChem CID55186067
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline
SMILESCCc1ccc(C(C)Nc2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C15H18ClNS/c1-4-13-7-8-15(18-13)11(3)17-12-6-5-10(2)14(16)9-12/h5-9,11,17H,4H2,1-3H3
InChIKeyFNGYUMQJXMSSLE-UHFFFAOYSA-N
XLogP5.45
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 ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 107572802
1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376974
3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-nitroaniline
CID 82864654
N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine
CID 63425907
N-[4-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylphenyl]acetamide
CID 61334340
N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline
CID 61334130
3-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 104775686
4-[1-(5-ethylthiophen-2-yl)ethylamino]benzoic acid
CID 61333563
2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 83078059
(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 55162371
2-[bromo-(3-chloro-4-methylphenyl)methyl]-5-ethylthiophene
CID 63439491
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline
CID 61333163

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline?
The IUPAC name of 3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline (CID 55186067) is 3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline is CCc1ccc(C(C)Nc2ccc(C)c(Cl)c2)s1.
What is the InChIKey of 3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline?
The InChIKey is FNGYUMQJXMSSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-4-13-7-8-15(18-13)11(3)17-12-6-5-10(2)14(16)9-12/h5-9,11,17H,4H2,1-3H3.
What are the key properties of 3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline?
3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline has a molecular weight of 279.84 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline is sourced from PubChem (CID 55186067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).