3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine

C14H18N2S — CID 115550269

IUPAC3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
SMILESCCC(Nc1c(C)cccc1N)c1cccs1
InChIInChI=1S/C14H18N2S/c1-3-12(13-8-5-9-17-13)16-14-10(2)6-4-7-11(14)15/h4-9,12,16H,3,15H2,1-2H3
InChIKeyYYNUUZGEAXXKMF-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.20
Rot. Bonds4

About 3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine

3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine (PubChem CID 115550269) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
PubChem CID115550269
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
SMILESCCC(Nc1c(C)cccc1N)c1cccs1
InChIInChI=1S/C14H18N2S/c1-3-12(13-8-5-9-17-13)16-14-10(2)6-4-7-11(14)15/h4-9,12,16H,3,15H2,1-2H3
InChIKeyYYNUUZGEAXXKMF-UHFFFAOYSA-N
XLogP4.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine
CID 115550554
1,3,5-trimethyl-N-(1-thiophen-2-ylpropyl)pyrazol-4-amine
CID 43204555
2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
CID 61076983
4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 65343285
3-methyl-2-(1-thiophen-2-ylbutylamino)benzoic acid
CID 107111959
3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline
CID 43104270
2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine
CID 63734094
2-(2-amino-6-methylanilino)propane-1,3-diol
CID 115550630
6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896972
3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 43706677
1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone
CID 104612544
6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896820

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine?
The IUPAC name of 3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine (CID 115550269) is 3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine is CCC(Nc1c(C)cccc1N)c1cccs1.
What is the InChIKey of 3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine?
The InChIKey is YYNUUZGEAXXKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-3-12(13-8-5-9-17-13)16-14-10(2)6-4-7-11(14)15/h4-9,12,16H,3,15H2,1-2H3.
What are the key properties of 3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine?
3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine has a molecular weight of 246.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 115550269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).