3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine

C17H24N2OS — CID 80739717

IUPAC3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
SMILESCC(C)Oc1cc(N)cc(NC(c2cccs2)C(C)C)c1
InChIInChI=1S/C17H24N2OS/c1-11(2)17(16-6-5-7-21-16)19-14-8-13(18)9-15(10-14)20-12(3)4/h5-12,17,19H,18H2,1-4H3
InChIKeySDKOODNFAQNZTK-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.93
Rot. Bonds6

About 3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine

3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine (PubChem CID 80739717) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
PubChem CID80739717
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
SMILESCC(C)Oc1cc(N)cc(NC(c2cccs2)C(C)C)c1
InChIInChI=1S/C17H24N2OS/c1-11(2)17(16-6-5-7-21-16)19-14-8-13(18)9-15(10-14)20-12(3)4/h5-12,17,19H,18H2,1-4H3
InChIKeySDKOODNFAQNZTK-UHFFFAOYSA-N
XLogP4.93
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765004
3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 62810348
3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721970
5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
CID 80739715
3-N-(2-bromophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723056
5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360130
3-N-(4-bromo-3-methylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80722114
3-nitro-5-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline
CID 80732659
3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723309
3,4-dimethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43760000
5-propan-2-yloxy-3-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
CID 80723403
6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine
CID 114070560

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine?
The IUPAC name of 3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine (CID 80739717) is 3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine is CC(C)Oc1cc(N)cc(NC(c2cccs2)C(C)C)c1.
What is the InChIKey of 3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine?
The InChIKey is SDKOODNFAQNZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11(2)17(16-6-5-7-21-16)19-14-8-13(18)9-15(10-14)20-12(3)4/h5-12,17,19H,18H2,1-4H3.
What are the key properties of 3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine?
3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine has a molecular weight of 304.46 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine is sourced from PubChem (CID 80739717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).