1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine

C17H20FN — CID 63424766

IUPAC1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine
SMILESCCCc1ccc(-c2ccc(CNC)c(F)c2)cc1
InChIInChI=1S/C17H20FN/c1-3-4-13-5-7-14(8-6-13)15-9-10-16(12-19-2)17(18)11-15/h5-11,19H,3-4,12H2,1-2H3
InChIKeyATIMHICEKVJYKO-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.16
Rot. Bonds5

About 1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine

1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine (PubChem CID 63424766) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine
PubChem CID63424766
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine
SMILESCCCc1ccc(-c2ccc(CNC)c(F)c2)cc1
InChIInChI=1S/C17H20FN/c1-3-4-13-5-7-14(8-6-13)15-9-10-16(12-19-2)17(18)11-15/h5-11,19H,3-4,12H2,1-2H3
InChIKeyATIMHICEKVJYKO-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-pentyl-4-(4-propylphenyl)benzene
CID 67842368
2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene
CID 19906984
1-(2,3-dibromo-3,3-difluoropropyl)-2-fluoro-4-(4-propylphenyl)benzene
CID 58077359
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 76621394
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
1-bromo-2-fluoro-4-(4-propylphenyl)benzene
CID 19917644
fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313
1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine
CID 79690156
2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
CID 67842495
2-fluoro-4-(4-propylphenyl)benzonitrile
CID 15085130

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine (CID 63424766) is 1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine is CCCc1ccc(-c2ccc(CNC)c(F)c2)cc1.
What is the InChIKey of 1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine?
The InChIKey is ATIMHICEKVJYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-3-4-13-5-7-14(8-6-13)15-9-10-16(12-19-2)17(18)11-15/h5-11,19H,3-4,12H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine?
1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine has a molecular weight of 257.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 63424766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).