4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline

C16H18FNO — CID 155469561

IUPAC4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FNO/c1-12(2)18-15-6-8-16(9-7-15)19-11-13-4-3-5-14(17)10-13/h3-10,12,18H,11H2,1-2H3
InChIKeySEIDPVRIAVOODH-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.22
Rot. Bonds5

About 4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline

4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline (PubChem CID 155469561) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline
PubChem CID155469561
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FNO/c1-12(2)18-15-6-8-16(9-7-15)19-11-13-4-3-5-14(17)10-13/h3-10,12,18H,11H2,1-2H3
InChIKeySEIDPVRIAVOODH-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.22
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

1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494579
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline
CID 155469533
2-[4-[(3-fluorophenyl)methoxy]anilino]ethene-1,1,2-tricarbonitrile
CID 168608415
ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate
CID 110359980
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10193260
(2S)-1-amino-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propan-1-ol
CID 155791401
1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene
CID 167222708
1-butyl-4-[(3-fluorophenyl)methoxy]benzene
CID 162218759
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline?
The IUPAC name of 4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline (CID 155469561) is 4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline.
What is the SMILES notation for 4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline?
The canonical SMILES for 4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline is CC(C)Nc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of 4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline?
The InChIKey is SEIDPVRIAVOODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(2)18-15-6-8-16(9-7-15)19-11-13-4-3-5-14(17)10-13/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline?
4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline has a molecular weight of 259.32 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline is sourced from PubChem (CID 155469561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).