N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine

C17H19F2N — CID 60929622

IUPACN-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1ccc(F)c(C)c1
InChIInChI=1S/C17H19F2N/c1-3-10-20-17(13-4-7-15(18)8-5-13)14-6-9-16(19)12(2)11-14/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyFOYCGWDZUJDUEE-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.36
Rot. Bonds5

About N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine

N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine (PubChem CID 60929622) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
PubChem CID60929622
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC NameN-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1ccc(F)c(C)c1
InChIInChI=1S/C17H19F2N/c1-3-10-20-17(13-4-7-15(18)8-5-13)14-6-9-16(19)12(2)11-14/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyFOYCGWDZUJDUEE-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494021
N-[(3-fluoro-4-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494693
N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
N-[(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 79721561
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63419672
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
N-[(4-bromo-3,5-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114330791
N-[(2,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413548
N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105142994
N-[(3,4-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494689
N-[(4-fluoro-3-methylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79747223
N-[(3,4-dimethylphenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 43493978

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine (CID 60929622) is N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1)c1ccc(F)c(C)c1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The InChIKey is FOYCGWDZUJDUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-3-10-20-17(13-4-7-15(18)8-5-13)14-6-9-16(19)12(2)11-14/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine?
N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine has a molecular weight of 275.34 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 60929622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).