4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine

C14H18N2S — CID 62911996

IUPAC4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine
SMILESCc1ccc(C(C)Nc2ccc(C)c(N)c2)s1
InChIInChI=1S/C14H18N2S/c1-9-4-6-12(8-13(9)15)16-11(3)14-7-5-10(2)17-14/h4-8,11,16H,15H2,1-3H3
InChIKeyUVJSKBBEONYKRI-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.12
Rot. Bonds3

About 4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine

4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine (PubChem CID 62911996) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine
PubChem CID62911996
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine
SMILESCc1ccc(C(C)Nc2ccc(C)c(N)c2)s1
InChIInChI=1S/C14H18N2S/c1-9-4-6-12(8-13(9)15)16-11(3)14-7-5-10(2)17-14/h4-8,11,16H,15H2,1-3H3
InChIKeyUVJSKBBEONYKRI-UHFFFAOYSA-N
XLogP4.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.12
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

4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 62810732
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 54954956
4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43194697
N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline
CID 43716871
5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide
CID 43106636
2-fluoro-5-[1-(5-methylthiophen-2-yl)ethylamino]benzamide
CID 43705343
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43196418
4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
CID 115468753
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 43095809
1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine
CID 55132685
6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 81132314
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60935914

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine?
The IUPAC name of 4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine (CID 62911996) is 4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine?
The canonical SMILES for 4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine is Cc1ccc(C(C)Nc2ccc(C)c(N)c2)s1.
What is the InChIKey of 4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine?
The InChIKey is UVJSKBBEONYKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-9-4-6-12(8-13(9)15)16-11(3)14-7-5-10(2)17-14/h4-8,11,16H,15H2,1-3H3.
What are the key properties of 4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine?
4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine has a molecular weight of 246.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine is sourced from PubChem (CID 62911996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).