2,5-dicyclopentyloxy-4-morpholin-4-ylaniline

C20H30N2O3 — CID 154092983

IUPAC2,5-dicyclopentyloxy-4-morpholin-4-ylaniline
SMILESNc1cc(OC2CCCC2)c(N2CCOCC2)cc1OC1CCCC1
InChIInChI=1S/C20H30N2O3/c21-17-13-20(25-16-7-3-4-8-16)18(22-9-11-23-12-10-22)14-19(17)24-15-5-1-2-6-15/h13-16H,1-12,21H2
InChIKeyYGXDUJHXYOBDPO-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.75
Rot. Bonds5

About 2,5-dicyclopentyloxy-4-morpholin-4-ylaniline

2,5-dicyclopentyloxy-4-morpholin-4-ylaniline (PubChem CID 154092983) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2,5-dicyclopentyloxy-4-morpholin-4-ylaniline.

Molecular Properties

Compound Name2,5-dicyclopentyloxy-4-morpholin-4-ylaniline
PubChem CID154092983
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2,5-dicyclopentyloxy-4-morpholin-4-ylaniline
SMILESNc1cc(OC2CCCC2)c(N2CCOCC2)cc1OC1CCCC1
InChIInChI=1S/C20H30N2O3/c21-17-13-20(25-16-7-3-4-8-16)18(22-9-11-23-12-10-22)14-19(17)24-15-5-1-2-6-15/h13-16H,1-12,21H2
InChIKeyYGXDUJHXYOBDPO-UHFFFAOYSA-N
XLogP3.75
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyloxy-4,5-dimethoxyaniline
CID 83008231
4-(5-bromo-2-cyclohexyloxy-3-pyridinyl)morpholine
CID 167395778
2,5-di(butan-2-yloxy)-4-morpholin-4-ylaniline
CID 154107073
2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid
CID 3025701
2,5-dibutoxy-4-morpholin-4-ylaniline sulfate
CID 6366686
2-methanimidoyl-5-(oxan-4-yloxy)benzene-1,4-diamine
CID 144847529
1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine
CID 63936921
5-fluoro-4-methoxy-2-(1,4-oxazepan-4-yl)aniline
CID 63598726
4-cyclohexyloxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80858635
5-iodo-2-(oxan-4-yloxy)aniline
CID 58221541
5-methyl-2-(oxan-4-yloxy)aniline
CID 61267533
4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline
CID 90456808

Frequently Asked Questions

What is the IUPAC name of 2,5-dicyclopentyloxy-4-morpholin-4-ylaniline?
The IUPAC name of 2,5-dicyclopentyloxy-4-morpholin-4-ylaniline (CID 154092983) is 2,5-dicyclopentyloxy-4-morpholin-4-ylaniline.
What is the SMILES notation for 2,5-dicyclopentyloxy-4-morpholin-4-ylaniline?
The canonical SMILES for 2,5-dicyclopentyloxy-4-morpholin-4-ylaniline is Nc1cc(OC2CCCC2)c(N2CCOCC2)cc1OC1CCCC1.
What is the InChIKey of 2,5-dicyclopentyloxy-4-morpholin-4-ylaniline?
The InChIKey is YGXDUJHXYOBDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c21-17-13-20(25-16-7-3-4-8-16)18(22-9-11-23-12-10-22)14-19(17)24-15-5-1-2-6-15/h13-16H,1-12,21H2.
What are the key properties of 2,5-dicyclopentyloxy-4-morpholin-4-ylaniline?
2,5-dicyclopentyloxy-4-morpholin-4-ylaniline has a molecular weight of 346.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dicyclopentyloxy-4-morpholin-4-ylaniline is sourced from PubChem (CID 154092983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).