2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine

C14H16Cl2N2S — CID 106890474

IUPAC2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine
SMILESCc1ccc(CC(C)Nc2c(Cl)cc(N)cc2Cl)s1
InChIInChI=1S/C14H16Cl2N2S/c1-8(5-11-4-3-9(2)19-11)18-14-12(15)6-10(17)7-13(14)16/h3-4,6-8,18H,5,17H2,1-2H3
InChIKeyMHAVBTGZGBPTTE-UHFFFAOYSA-N
MW315.27 g/mol
LogP4.99
Rot. Bonds4

About 2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine

2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine (PubChem CID 106890474) has the molecular formula C14H16Cl2N2S and a molecular weight of 315.27 g/mol. Its IUPAC name is 2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine
PubChem CID106890474
Molecular FormulaC14H16Cl2N2S
Molecular Weight315.27 g/mol
Exact Mass314.04
IUPAC Name2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine
SMILESCc1ccc(CC(C)Nc2c(Cl)cc(N)cc2Cl)s1
InChIInChI=1S/C14H16Cl2N2S/c1-8(5-11-4-3-9(2)19-11)18-14-12(15)6-10(17)7-13(14)16/h3-4,6-8,18H,5,17H2,1-2H3
InChIKeyMHAVBTGZGBPTTE-UHFFFAOYSA-N
XLogP4.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 54.99
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

5-chloro-6-fluoro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,2,4-triamine
CID 103553180
3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine
CID 83064073
2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine
CID 103390068
2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine
CID 80984662
methyl 5-amino-3-chloro-2-[(5-methylthiophen-2-yl)methylamino]benzoate
CID 107195585
(2R)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 18656698
1-(5-methylthiophen-2-yl)propan-2-ol
CID 13111508
5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
CID 80918079
2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine
CID 106890795
2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline
CID 66416923
2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-nitropyridine-2,6-diamine
CID 80836746
5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine
CID 112695253

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine (CID 106890474) is 2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine is Cc1ccc(CC(C)Nc2c(Cl)cc(N)cc2Cl)s1.
What is the InChIKey of 2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine?
The InChIKey is MHAVBTGZGBPTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2S/c1-8(5-11-4-3-9(2)19-11)18-14-12(15)6-10(17)7-13(14)16/h3-4,6-8,18H,5,17H2,1-2H3.
What are the key properties of 2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine?
2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine has a molecular weight of 315.27 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 106890474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).