2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine

C14H18N2OS — CID 83002469

IUPAC2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
SMILESCC(C)Oc1cc(NCc2ccsc2)ccc1N
InChIInChI=1S/C14H18N2OS/c1-10(2)17-14-7-12(3-4-13(14)15)16-8-11-5-6-18-9-11/h3-7,9-10,16H,8,15H2,1-2H3
InChIKeyNYGFXKIQGGZZCR-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.73
Rot. Bonds5

About 2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine

2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine (PubChem CID 83002469) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
PubChem CID83002469
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
SMILESCC(C)Oc1cc(NCc2ccsc2)ccc1N
InChIInChI=1S/C14H18N2OS/c1-10(2)17-14-7-12(3-4-13(14)15)16-8-11-5-6-18-9-11/h3-7,9-10,16H,8,15H2,1-2H3
InChIKeyNYGFXKIQGGZZCR-UHFFFAOYSA-N
XLogP3.73
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.73
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

4-nitro-3-propan-2-yloxy-N-(thiophen-3-ylmethyl)aniline
CID 83012303
4-N-[(5-ethylthiophen-2-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 106007357
4-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 63247673
4-N-[(5-bromothiophen-2-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002044
4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002942
4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002592
4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002662
4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 102694533
4-N-[(2,5-difluorophenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83005121
4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 113449895
4-(difluoromethoxy)-3-fluoro-N-(thiophen-3-ylmethyl)aniline
CID 54864229
2-propan-2-yloxy-4-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,4-diamine
CID 83001895

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine (CID 83002469) is 2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine is CC(C)Oc1cc(NCc2ccsc2)ccc1N.
What is the InChIKey of 2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine?
The InChIKey is NYGFXKIQGGZZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(2)17-14-7-12(3-4-13(14)15)16-8-11-5-6-18-9-11/h3-7,9-10,16H,8,15H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine?
2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine has a molecular weight of 262.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-4-N-(thiophen-3-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 83002469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).