3-fluoro-4-methoxy-N-undecan-6-ylaniline

C18H30FNO — CID 43775903

IUPAC3-fluoro-4-methoxy-N-undecan-6-ylaniline
SMILESCCCCCC(CCCCC)Nc1ccc(OC)c(F)c1
InChIInChI=1S/C18H30FNO/c1-4-6-8-10-15(11-9-7-5-2)20-16-12-13-18(21-3)17(19)14-16/h12-15,20H,4-11H2,1-3H3
InChIKeyKNSMBGFRISDZBM-UHFFFAOYSA-N
MW295.44 g/mol
LogP5.78
Rot. Bonds11

About 3-fluoro-4-methoxy-N-undecan-6-ylaniline

3-fluoro-4-methoxy-N-undecan-6-ylaniline (PubChem CID 43775903) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-undecan-6-ylaniline.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-undecan-6-ylaniline
PubChem CID43775903
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name3-fluoro-4-methoxy-N-undecan-6-ylaniline
SMILESCCCCCC(CCCCC)Nc1ccc(OC)c(F)c1
InChIInChI=1S/C18H30FNO/c1-4-6-8-10-15(11-9-7-5-2)20-16-12-13-18(21-3)17(19)14-16/h12-15,20H,4-11H2,1-3H3
InChIKeyKNSMBGFRISDZBM-UHFFFAOYSA-N
XLogP5.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.44
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-heptan-3-yl-4-methoxyaniline
CID 63944319
N-decyl-3-fluoro-4-methoxyaniline
CID 63489598
3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline
CID 43775902
4-fluoro-N-heptan-3-yl-3-methoxyaniline
CID 114838067
2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide
CID 43380763
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
4-(1-bromononyl)-2-fluoro-1-methoxybenzene
CID 65426024
2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine
CID 114137996
3-fluoro-4-methoxy-N-(2-methylpentyl)aniline
CID 43380460
2-fluoro-5-(undecan-6-ylamino)benzonitrile
CID 63477977
4-methoxy-3-methyl-N-nonan-2-ylaniline
CID 55193321

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-undecan-6-ylaniline?
The IUPAC name of 3-fluoro-4-methoxy-N-undecan-6-ylaniline (CID 43775903) is 3-fluoro-4-methoxy-N-undecan-6-ylaniline.
What is the SMILES notation for 3-fluoro-4-methoxy-N-undecan-6-ylaniline?
The canonical SMILES for 3-fluoro-4-methoxy-N-undecan-6-ylaniline is CCCCCC(CCCCC)Nc1ccc(OC)c(F)c1.
What is the InChIKey of 3-fluoro-4-methoxy-N-undecan-6-ylaniline?
The InChIKey is KNSMBGFRISDZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-4-6-8-10-15(11-9-7-5-2)20-16-12-13-18(21-3)17(19)14-16/h12-15,20H,4-11H2,1-3H3.
What are the key properties of 3-fluoro-4-methoxy-N-undecan-6-ylaniline?
3-fluoro-4-methoxy-N-undecan-6-ylaniline has a molecular weight of 295.44 g/mol, XLogP of 5.78, 11 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-undecan-6-ylaniline is sourced from PubChem (CID 43775903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).