N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine

C16H16F3NO — CID 103302641

IUPACN-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C16H16F3NO/c1-3-20-16(10-4-6-11(21-2)7-5-10)12-8-14(18)15(19)9-13(12)17/h4-9,16,20H,3H2,1-2H3
InChIKeyQREUXUXJEKFERQ-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.81
Rot. Bonds5

About N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine

N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine (PubChem CID 103302641) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
PubChem CID103302641
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C16H16F3NO/c1-3-20-16(10-4-6-11(21-2)7-5-10)12-8-14(18)15(19)9-13(12)17/h4-9,16,20H,3H2,1-2H3
InChIKeyQREUXUXJEKFERQ-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302716
N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489212
N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 82873200
N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489240
N-[(3-chloro-4-iodophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302706
N-[(2-chloro-4,5-difluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107476523
N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302959
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198
N-[(5-bromo-2-fluorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43494987
N-[(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561563
N-[(4-chloro-2,5-difluorophenyl)-(4-methylphenyl)methyl]ethanamine
CID 82782197
N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302725

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine (CID 103302641) is N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1)c1cc(F)c(F)cc1F.
What is the InChIKey of N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine?
The InChIKey is QREUXUXJEKFERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-3-20-16(10-4-6-11(21-2)7-5-10)12-8-14(18)15(19)9-13(12)17/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine?
N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 103302641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).