N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine

C16H16F3N — CID 61026035

IUPACN-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(F)c(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H16F3N/c1-10(2)20-9-11-3-4-16(19)15(5-11)12-6-13(17)8-14(18)7-12/h3-8,10,20H,9H2,1-2H3
InChIKeyMWSFVLCLHYVNCB-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.27
Rot. Bonds4

About N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine

N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine (PubChem CID 61026035) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
PubChem CID61026035
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(F)c(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H16F3N/c1-10(2)20-9-11-3-4-16(19)15(5-11)12-6-13(17)8-14(18)7-12/h3-8,10,20H,9H2,1-2H3
InChIKeyMWSFVLCLHYVNCB-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine
CID 63424500
N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 79692007
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428027
N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911501
N-[[3-(2,4-dichlorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428074
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 115503150
N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 106882253
N-[[3-(2-fluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408608
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
CID 84753813
N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732388
N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine
CID 62491870

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine (CID 61026035) is N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine is CC(C)NCc1ccc(F)c(-c2cc(F)cc(F)c2)c1.
What is the InChIKey of N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine?
The InChIKey is MWSFVLCLHYVNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-10(2)20-9-11-3-4-16(19)15(5-11)12-6-13(17)8-14(18)7-12/h3-8,10,20H,9H2,1-2H3.
What are the key properties of N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine?
N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine has a molecular weight of 279.31 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 61026035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).