N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine

C16H16F3N — CID 115523424

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1ccc(C(F)F)cc1
InChIInChI=1S/C16H16F3N/c17-15-4-2-1-3-13(15)9-10-20-11-12-5-7-14(8-6-12)16(18)19/h1-8,16,20H,9-11H2
InChIKeyIDJHRYWEKBIYON-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.10
Rot. Bonds6

About N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine

N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine (PubChem CID 115523424) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine
PubChem CID115523424
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1ccc(C(F)F)cc1
InChIInChI=1S/C16H16F3N/c17-15-4-2-1-3-13(15)9-10-20-11-12-5-7-14(8-6-12)16(18)19/h1-8,16,20H,9-11H2
InChIKeyIDJHRYWEKBIYON-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115523434
3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 131938810
2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 4718833
2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]phenoxy]acetonitrile
CID 43221883
3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline
CID 115211996
N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 83235359
2-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723813
2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4718343
N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine
CID 115227243
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119
2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine
CID 43224384

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine (CID 115523424) is N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine is Fc1ccccc1CCNCc1ccc(C(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine?
The InChIKey is IDJHRYWEKBIYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c17-15-4-2-1-3-13(15)9-10-20-11-12-5-7-14(8-6-12)16(18)19/h1-8,16,20H,9-11H2.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine?
N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine has a molecular weight of 279.31 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 115523424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).