2-fluoro-4-hexoxy-N-phenylaniline

C18H22FNO — CID 160967135

IUPAC2-fluoro-4-hexoxy-N-phenylaniline
SMILESCCCCCCOc1ccc(Nc2ccccc2)c(F)c1
InChIInChI=1S/C18H22FNO/c1-2-3-4-8-13-21-16-11-12-18(17(19)14-16)20-15-9-6-5-7-10-15/h5-7,9-12,14,20H,2-4,8,13H2,1H3
InChIKeySXTQCEACHMLPFE-UHFFFAOYSA-N
MW287.38 g/mol
LogP5.53
Rot. Bonds8

About 2-fluoro-4-hexoxy-N-phenylaniline

2-fluoro-4-hexoxy-N-phenylaniline (PubChem CID 160967135) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-fluoro-4-hexoxy-N-phenylaniline.

Molecular Properties

Compound Name2-fluoro-4-hexoxy-N-phenylaniline
PubChem CID160967135
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-fluoro-4-hexoxy-N-phenylaniline
SMILESCCCCCCOc1ccc(Nc2ccccc2)c(F)c1
InChIInChI=1S/C18H22FNO/c1-2-3-4-8-13-21-16-11-12-18(17(19)14-16)20-15-9-6-5-7-10-15/h5-7,9-12,14,20H,2-4,8,13H2,1H3
InChIKeySXTQCEACHMLPFE-UHFFFAOYSA-N
XLogP5.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.38
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
3-hexoxy-N-(4-phenylphenyl)aniline
CID 90222153
4-decoxy-N-(4-decoxyphenyl)aniline
CID 19796048
1-bromo-2-fluoro-4-tetradecoxybenzene
CID 23354727
N'-(3-heptoxyphenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54806056
2-anilino-N-(3-hexoxyphenyl)benzamide
CID 54784866
1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine
CID 169385920
2-N-(3-undecoxyphenyl)-4-N,6-N-bis(4-undecoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 58789715
1-N-(3-heptoxyphenyl)benzene-1,2,4-triamine
CID 54794959
pentoxybenzene;undecane
CID 174778179
3-butoxy-N-octylaniline
CID 54800685
(2-fluoro-4-nonoxyphenyl)boronic acid
CID 23005431

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hexoxy-N-phenylaniline?
The IUPAC name of 2-fluoro-4-hexoxy-N-phenylaniline (CID 160967135) is 2-fluoro-4-hexoxy-N-phenylaniline.
What is the SMILES notation for 2-fluoro-4-hexoxy-N-phenylaniline?
The canonical SMILES for 2-fluoro-4-hexoxy-N-phenylaniline is CCCCCCOc1ccc(Nc2ccccc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-hexoxy-N-phenylaniline?
The InChIKey is SXTQCEACHMLPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-2-3-4-8-13-21-16-11-12-18(17(19)14-16)20-15-9-6-5-7-10-15/h5-7,9-12,14,20H,2-4,8,13H2,1H3.
What are the key properties of 2-fluoro-4-hexoxy-N-phenylaniline?
2-fluoro-4-hexoxy-N-phenylaniline has a molecular weight of 287.38 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hexoxy-N-phenylaniline is sourced from PubChem (CID 160967135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).