N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline

C18H22FNO — CID 114828418

IUPACN-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline
SMILESCC(Cc1ccccc1F)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H22FNO/c1-13(2)21-17-10-8-16(9-11-17)20-14(3)12-15-6-4-5-7-18(15)19/h4-11,13-14,20H,12H2,1-3H3
InChIKeyDKCZIRNPHFAQEN-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.66
Rot. Bonds6

About N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline

N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline (PubChem CID 114828418) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline
PubChem CID114828418
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline
SMILESCC(Cc1ccccc1F)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H22FNO/c1-13(2)21-17-10-8-16(9-11-17)20-14(3)12-15-6-4-5-7-18(15)19/h4-11,13-14,20H,12H2,1-3H3
InChIKeyDKCZIRNPHFAQEN-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.66
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

4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828280
[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]methanol
CID 114830703
N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide
CID 114827852
3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline
CID 114827877
N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline
CID 63098725
N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline
CID 114828426
N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline
CID 62535634
N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 114828563
3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline
CID 114830485
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112873973
3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112949802
2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
CID 114830872

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline?
The IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline (CID 114828418) is N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline.
What is the SMILES notation for N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline?
The canonical SMILES for N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline is CC(Cc1ccccc1F)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline?
The InChIKey is DKCZIRNPHFAQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-13(2)21-17-10-8-16(9-11-17)20-14(3)12-15-6-4-5-7-18(15)19/h4-11,13-14,20H,12H2,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline?
N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline has a molecular weight of 287.38 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline is sourced from PubChem (CID 114828418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).