2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline

C14H16Cl2N2S — CID 82841766

IUPAC2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline
SMILESCCc1ccsc1CNCc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2S/c1-2-10-3-4-19-13(10)8-18-7-9-5-11(15)14(17)12(16)6-9/h3-6,18H,2,7-8,17H2,1H3
InChIKeyZHCHIAVPOKCRHA-UHFFFAOYSA-N
MW315.27 g/mol
LogP4.49
Rot. Bonds5

About 2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline

2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline (PubChem CID 82841766) has the molecular formula C14H16Cl2N2S and a molecular weight of 315.27 g/mol. Its IUPAC name is 2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline
PubChem CID82841766
Molecular FormulaC14H16Cl2N2S
Molecular Weight315.27 g/mol
Exact Mass314.04
IUPAC Name2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline
SMILESCCc1ccsc1CNCc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2S/c1-2-10-3-4-19-13(10)8-18-7-9-5-11(15)14(17)12(16)6-9/h3-6,18H,2,7-8,17H2,1H3
InChIKeyZHCHIAVPOKCRHA-UHFFFAOYSA-N
XLogP4.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-ethylthiophen-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437925
3-chloro-1-N-[(3-ethylthiophen-2-yl)methyl]benzene-1,2-diamine
CID 104834730
N-[(3-ethylthiophen-2-yl)methyl]-1-(3-fluoro-5-nitrophenyl)methanamine
CID 115980528
2,6-dichloro-4-[(thiophen-3-ylmethylamino)methyl]aniline
CID 82841230
N-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756498
4-[(benzylamino)methyl]-2,6-dichloroaniline
CID 82833040
N-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine
CID 102911461
2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide
CID 114385097
1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 113225343
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine
CID 115440073
1-N-[(3-ethylthiophen-2-yl)methyl]-3,5-difluorobenzene-1,2-diamine
CID 113325349
N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 115690026

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline?
The IUPAC name of 2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline (CID 82841766) is 2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline is CCc1ccsc1CNCc1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline?
The InChIKey is ZHCHIAVPOKCRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2S/c1-2-10-3-4-19-13(10)8-18-7-9-5-11(15)14(17)12(16)6-9/h3-6,18H,2,7-8,17H2,1H3.
What are the key properties of 2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline?
2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline has a molecular weight of 315.27 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline is sourced from PubChem (CID 82841766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).