N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline

C23H16F4N2 — CID 90903736

IUPACN-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
SMILESFc1ccccc1CNc1cccc(-c2ccnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C23H16F4N2/c24-21-10-2-1-5-16(21)14-29-17-7-3-6-15(13-17)18-11-12-28-22-19(18)8-4-9-20(22)23(25,26)27/h1-13,29H,14H2
InChIKeyNWCNLODVJZVUTD-UHFFFAOYSA-N
MW396.39 g/mol
LogP6.67
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline

N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline (PubChem CID 90903736) has the molecular formula C23H16F4N2 and a molecular weight of 396.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
PubChem CID90903736
Molecular FormulaC23H16F4N2
Molecular Weight396.39 g/mol
Exact Mass396.12
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
SMILESFc1ccccc1CNc1cccc(-c2ccnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C23H16F4N2/c24-21-10-2-1-5-16(21)14-29-17-7-3-6-15(13-17)18-11-12-28-22-19(18)8-4-9-20(22)23(25,26)27/h1-13,29H,14H2
InChIKeyNWCNLODVJZVUTD-UHFFFAOYSA-N
XLogP6.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.39
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174518869
[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol
CID 174518736
N-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174504635
N-[(3-nitrophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174518806
2-(aminomethyl)-N-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methyl]aniline
CID 174518717
N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine
CID 174518702
6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid
CID 25224643
4-[3-(4-fluoro-3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline
CID 46887891
2-[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalen-1-yl]acetic acid
CID 25225379
3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-[(2-fluoro-5-methoxyphenyl)methyl]aniline
CID 66914569
4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline
CID 174518716
4-[3-[(3-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinoline
CID 66914046

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline (CID 90903736) is N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline is Fc1ccccc1CNc1cccc(-c2ccnc3c(C(F)(F)F)cccc23)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline?
The InChIKey is NWCNLODVJZVUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N2/c24-21-10-2-1-5-16(21)14-29-17-7-3-6-15(13-17)18-11-12-28-22-19(18)8-4-9-20(22)23(25,26)27/h1-13,29H,14H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline?
N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline has a molecular weight of 396.39 g/mol, XLogP of 6.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline is sourced from PubChem (CID 90903736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).