N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline

C14H16ClNO2S — CID 43438960

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
SMILESCOc1cc(NC(C)c2ccc(Cl)s2)cc(OC)c1
InChIInChI=1S/C14H16ClNO2S/c1-9(13-4-5-14(15)19-13)16-10-6-11(17-2)8-12(7-10)18-3/h4-9,16H,1-3H3
InChIKeyHFGZXHHJXIXQNP-UHFFFAOYSA-N
MW297.81 g/mol
LogP4.59
Rot. Bonds5

About N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline

N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline (PubChem CID 43438960) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
PubChem CID43438960
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
SMILESCOc1cc(NC(C)c2ccc(Cl)s2)cc(OC)c1
InChIInChI=1S/C14H16ClNO2S/c1-9(13-4-5-14(15)19-13)16-10-6-11(17-2)8-12(7-10)18-3/h4-9,16H,1-3H3
InChIKeyHFGZXHHJXIXQNP-UHFFFAOYSA-N
XLogP4.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyaniline
CID 82858247
N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
CID 54898292
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966
3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43192817
3-bromo-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 82858085
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxy-2-(trifluoromethyl)aniline
CID 43678129
2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene
CID 61086226
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43692555
5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethoxyaniline
CID 43438965
4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline
CID 43438946
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethoxy)-5-methoxyaniline
CID 43699631

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline (CID 43438960) is N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline is COc1cc(NC(C)c2ccc(Cl)s2)cc(OC)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline?
The InChIKey is HFGZXHHJXIXQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-9(13-4-5-14(15)19-13)16-10-6-11(17-2)8-12(7-10)18-3/h4-9,16H,1-3H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline?
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline has a molecular weight of 297.81 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline is sourced from PubChem (CID 43438960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).