N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine

C16H16F3N — CID 63988399

IUPACN-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1cccc(F)c1F
InChIInChI=1S/C16H16F3N/c1-2-9-20-16(11-5-3-6-12(17)10-11)13-7-4-8-14(18)15(13)19/h3-8,10,16,20H,2,9H2,1H3
InChIKeyAJEFWOHHPGAYTK-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.19
Rot. Bonds5

About N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine

N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine (PubChem CID 63988399) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
PubChem CID63988399
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1cccc(F)c1F
InChIInChI=1S/C16H16F3N/c1-2-9-20-16(11-5-3-6-12(17)10-11)13-7-4-8-14(18)15(13)19/h3-8,10,16,20H,2,9H2,1H3
InChIKeyAJEFWOHHPGAYTK-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 115791844
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 63502473
N-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 115791800
N-[(3-fluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115791989
N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 115861901
N-[(3-bromo-2-methylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 115791846
N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63990259
N-[(2,5-dibromophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43495338
N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43494013
N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 63502673
N-[(3,6-dimethylpyridazin-4-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 105093062

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine (CID 63988399) is N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1)c1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine?
The InChIKey is AJEFWOHHPGAYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-2-9-20-16(11-5-3-6-12(17)10-11)13-7-4-8-14(18)15(13)19/h3-8,10,16,20H,2,9H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine?
N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine has a molecular weight of 279.31 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 63988399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).