N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline

C13H21NO2 — CID 62535634

IUPACN-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline
SMILESCOCC(C)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C13H21NO2/c1-10(2)16-13-7-5-12(6-8-13)14-11(3)9-15-4/h5-8,10-11,14H,9H2,1-4H3
InChIKeyAKLGGRCJCIGXHH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.92
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline

N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline (PubChem CID 62535634) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline
PubChem CID62535634
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline
SMILESCOCC(C)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C13H21NO2/c1-10(2)16-13-7-5-12(6-8-13)14-11(3)9-15-4/h5-8,10-11,14H,9H2,1-4H3
InChIKeyAKLGGRCJCIGXHH-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline
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4-butyl-N-(1-methoxypropan-2-yl)aniline
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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline (CID 62535634) is N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline is COCC(C)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline?
The InChIKey is AKLGGRCJCIGXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)16-13-7-5-12(6-8-13)14-11(3)9-15-4/h5-8,10-11,14H,9H2,1-4H3.
What are the key properties of N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline?
N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline has a molecular weight of 223.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 62535634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).