4-N-(2-ethylcyclopropyl)-2-propan-2-yloxybenzene-1,4-diamine

C14H22N2O — CID 114107471

IUPAC4-N-(2-ethylcyclopropyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCCC1CC1Nc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C14H22N2O/c1-4-10-7-13(10)16-11-5-6-12(15)14(8-11)17-9(2)3/h5-6,8-10,13,16H,4,7,15H2,1-3H3
InChIKeyXKCYJKMNJXSJDZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.27
Rot. Bonds5

About 4-N-(2-ethylcyclopropyl)-2-propan-2-yloxybenzene-1,4-diamine

4-N-(2-ethylcyclopropyl)-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 114107471) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-N-(2-ethylcyclopropyl)-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethylcyclopropyl)-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID114107471
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-N-(2-ethylcyclopropyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCCC1CC1Nc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C14H22N2O/c1-4-10-7-13(10)16-11-5-6-12(15)14(8-11)17-9(2)3/h5-6,8-10,13,16H,4,7,15H2,1-3H3
InChIKeyXKCYJKMNJXSJDZ-UHFFFAOYSA-N
XLogP3.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.27
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

2-(4-amino-3-propan-2-yloxyanilino)cyclohexan-1-ol
CID 83002746
4-N-(2-methoxycyclopentyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002880
4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002828
5-(4-amino-3-propan-2-yloxyanilino)piperidin-2-one
CID 83002885
4-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002545
4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline
CID 83012844
4-N-hexan-2-yl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002251
4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 102694533
4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine
CID 106022537
4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 113449895
4-N-[(5-ethylthiophen-2-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 106007357
4-ethyl-2-propan-2-yloxyaniline
CID 91557957

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylcyclopropyl)-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-(2-ethylcyclopropyl)-2-propan-2-yloxybenzene-1,4-diamine (CID 114107471) is 4-N-(2-ethylcyclopropyl)-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-ethylcyclopropyl)-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-ethylcyclopropyl)-2-propan-2-yloxybenzene-1,4-diamine is CCC1CC1Nc1ccc(N)c(OC(C)C)c1.
What is the InChIKey of 4-N-(2-ethylcyclopropyl)-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is XKCYJKMNJXSJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-10-7-13(10)16-11-5-6-12(15)14(8-11)17-9(2)3/h5-6,8-10,13,16H,4,7,15H2,1-3H3.
What are the key properties of 4-N-(2-ethylcyclopropyl)-2-propan-2-yloxybenzene-1,4-diamine?
4-N-(2-ethylcyclopropyl)-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 234.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylcyclopropyl)-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 114107471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).