N-[bis(4-fluorophenyl)methyl]propan-1-amine

C16H17F2N — CID 43389379

IUPACN-[bis(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17F2N/c1-2-11-19-16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-10,16,19H,2,11H2,1H3
InChIKeyDGIWGONVVXEOGR-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.05
Rot. Bonds5

About N-[bis(4-fluorophenyl)methyl]propan-1-amine

N-[bis(4-fluorophenyl)methyl]propan-1-amine (PubChem CID 43389379) has the molecular formula C16H17F2N and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[bis(4-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[bis(4-fluorophenyl)methyl]propan-1-amine
PubChem CID43389379
Molecular FormulaC16H17F2N
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC NameN-[bis(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17F2N/c1-2-11-19-16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-10,16,19H,2,11H2,1H3
InChIKeyDGIWGONVVXEOGR-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.05
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-[(3,4-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494689
N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 60929622
N-[(4-bromo-3,5-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114330791
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494722
N-[(4-fluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 79214264
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 43494532
N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494667
N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114558952
N-[(5-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 65307696

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[bis(4-fluorophenyl)methyl]propan-1-amine (CID 43389379) is N-[bis(4-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[bis(4-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[bis(4-fluorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[bis(4-fluorophenyl)methyl]propan-1-amine?
The InChIKey is DGIWGONVVXEOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-2-11-19-16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-10,16,19H,2,11H2,1H3.
What are the key properties of N-[bis(4-fluorophenyl)methyl]propan-1-amine?
N-[bis(4-fluorophenyl)methyl]propan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43389379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).