3-(fluoromethoxy)-4-propylaniline

C10H14FNO — CID 121291374

IUPAC3-(fluoromethoxy)-4-propylaniline
SMILESCCCc1ccc(N)cc1OCF
InChIInChI=1S/C10H14FNO/c1-2-3-8-4-5-9(12)6-10(8)13-7-11/h4-6H,2-3,7,12H2,1H3
InChIKeyRADMJQHCTYIISC-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.53
Rot. Bonds4

About 3-(fluoromethoxy)-4-propylaniline

3-(fluoromethoxy)-4-propylaniline (PubChem CID 121291374) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-(fluoromethoxy)-4-propylaniline.

Molecular Properties

Compound Name3-(fluoromethoxy)-4-propylaniline
PubChem CID121291374
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name3-(fluoromethoxy)-4-propylaniline
SMILESCCCc1ccc(N)cc1OCF
InChIInChI=1S/C10H14FNO/c1-2-3-8-4-5-9(12)6-10(8)13-7-11/h4-6H,2-3,7,12H2,1H3
InChIKeyRADMJQHCTYIISC-UHFFFAOYSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chlorophenyl)methoxy]-4-propylaniline
CID 154112954
3-bromo-4-(fluoromethoxy)aniline
CID 174521231
1-ethyl-4-fluoro-2-(fluoromethoxy)benzene
CID 121285035
2-ethoxy-4-ethyl-1-propylbenzene
CID 14665571
3-nitroso-4-propylaniline
CID 88588060
3-propoxy-4-propylphenol
CID 22123839
ethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine
CID 145462378
4-amino-2-ethoxyphenol
CID 12856010
4-[[4-[19-[4-[(4-amino-2-propylphenyl)methyl]phenyl]nonadecyl]phenyl]methyl]-3-propylaniline
CID 22919315
4-[[4-[12-[4-[(4-aminophenyl)methyl]-2-propylphenyl]dodecyl]-3-propylphenyl]methyl]aniline
CID 22920674
4-[[4-[7-[4-[(4-amino-2-propylphenyl)methyl]phenyl]heptyl]phenyl]methyl]-3-propylaniline
CID 22920241
4-[[4-[14-[4-[(4-amino-2-propylphenyl)methyl]phenyl]tetradecyl]phenyl]methyl]-3-propylaniline
CID 22920322

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethoxy)-4-propylaniline?
The IUPAC name of 3-(fluoromethoxy)-4-propylaniline (CID 121291374) is 3-(fluoromethoxy)-4-propylaniline.
What is the SMILES notation for 3-(fluoromethoxy)-4-propylaniline?
The canonical SMILES for 3-(fluoromethoxy)-4-propylaniline is CCCc1ccc(N)cc1OCF.
What is the InChIKey of 3-(fluoromethoxy)-4-propylaniline?
The InChIKey is RADMJQHCTYIISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-2-3-8-4-5-9(12)6-10(8)13-7-11/h4-6H,2-3,7,12H2,1H3.
What are the key properties of 3-(fluoromethoxy)-4-propylaniline?
3-(fluoromethoxy)-4-propylaniline has a molecular weight of 183.23 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethoxy)-4-propylaniline is sourced from PubChem (CID 121291374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).