4-cyclopentyloxy-N-(3-methoxybutan-2-yl)aniline

C16H25NO2 — CID 115917770

IUPAC4-cyclopentyloxy-N-(3-methoxybutan-2-yl)aniline
SMILESCOC(C)C(C)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H25NO2/c1-12(13(2)18-3)17-14-8-10-16(11-9-14)19-15-6-4-5-7-15/h8-13,15,17H,4-7H2,1-3H3
InChIKeyGYVZKZQXBOFXTR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.84
Rot. Bonds6

About 4-cyclopentyloxy-N-(3-methoxybutan-2-yl)aniline

4-cyclopentyloxy-N-(3-methoxybutan-2-yl)aniline (PubChem CID 115917770) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-(3-methoxybutan-2-yl)aniline.

Molecular Properties

Compound Name4-cyclopentyloxy-N-(3-methoxybutan-2-yl)aniline
PubChem CID115917770
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-cyclopentyloxy-N-(3-methoxybutan-2-yl)aniline
SMILESCOC(C)C(C)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H25NO2/c1-12(13(2)18-3)17-14-8-10-16(11-9-14)19-15-6-4-5-7-15/h8-13,15,17H,4-7H2,1-3H3
InChIKeyGYVZKZQXBOFXTR-UHFFFAOYSA-N
XLogP3.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.84
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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(2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide
CID 25345040
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1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
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4-cyclopentyloxy-N-prop-2-ynylaniline
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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-(3-methoxybutan-2-yl)aniline?
The IUPAC name of 4-cyclopentyloxy-N-(3-methoxybutan-2-yl)aniline (CID 115917770) is 4-cyclopentyloxy-N-(3-methoxybutan-2-yl)aniline.
What is the SMILES notation for 4-cyclopentyloxy-N-(3-methoxybutan-2-yl)aniline?
The canonical SMILES for 4-cyclopentyloxy-N-(3-methoxybutan-2-yl)aniline is COC(C)C(C)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyloxy-N-(3-methoxybutan-2-yl)aniline?
The InChIKey is GYVZKZQXBOFXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(13(2)18-3)17-14-8-10-16(11-9-14)19-15-6-4-5-7-15/h8-13,15,17H,4-7H2,1-3H3.
What are the key properties of 4-cyclopentyloxy-N-(3-methoxybutan-2-yl)aniline?
4-cyclopentyloxy-N-(3-methoxybutan-2-yl)aniline has a molecular weight of 263.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-(3-methoxybutan-2-yl)aniline is sourced from PubChem (CID 115917770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).