3-fluoro-4-methoxy-N-(2-methylpentyl)aniline

C13H20FNO — CID 43380460

IUPAC3-fluoro-4-methoxy-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO/c1-4-5-10(2)9-15-11-6-7-13(16-3)12(14)8-11/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyADKFFPUIJZPTFQ-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.68
Rot. Bonds6

About 3-fluoro-4-methoxy-N-(2-methylpentyl)aniline

3-fluoro-4-methoxy-N-(2-methylpentyl)aniline (PubChem CID 43380460) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(2-methylpentyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(2-methylpentyl)aniline
PubChem CID43380460
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name3-fluoro-4-methoxy-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO/c1-4-5-10(2)9-15-11-6-7-13(16-3)12(14)8-11/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyADKFFPUIJZPTFQ-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 115202281
3-(3-fluoro-4-methoxyanilino)-2-methylpropanoic acid
CID 43538671
N-(3,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine
CID 114987378
2-ethyl-N-(3-fluoro-4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 115254755
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307
N-decyl-3-fluoro-4-methoxyaniline
CID 63489598
3-fluoro-4-methoxy-N-undecan-6-ylaniline
CID 43775903
3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline
CID 43380738
3-(3-fluoro-4-methoxyphenyl)-1-methyl-1-[(2R)-pentan-2-yl]urea
CID 94187469
3-fluoro-N-heptan-3-yl-4-methoxyaniline
CID 63944319
4-fluoro-N-(2-methylpentyl)-3-nitroaniline
CID 43719207
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol
CID 60909290

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(2-methylpentyl)aniline?
The IUPAC name of 3-fluoro-4-methoxy-N-(2-methylpentyl)aniline (CID 43380460) is 3-fluoro-4-methoxy-N-(2-methylpentyl)aniline.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(2-methylpentyl)aniline?
The canonical SMILES for 3-fluoro-4-methoxy-N-(2-methylpentyl)aniline is CCCC(C)CNc1ccc(OC)c(F)c1.
What is the InChIKey of 3-fluoro-4-methoxy-N-(2-methylpentyl)aniline?
The InChIKey is ADKFFPUIJZPTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-5-10(2)9-15-11-6-7-13(16-3)12(14)8-11/h6-8,10,15H,4-5,9H2,1-3H3.
What are the key properties of 3-fluoro-4-methoxy-N-(2-methylpentyl)aniline?
3-fluoro-4-methoxy-N-(2-methylpentyl)aniline has a molecular weight of 225.31 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(2-methylpentyl)aniline is sourced from PubChem (CID 43380460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).