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

C26H23F3N2 — CID 174504635

IUPACN-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
SMILESCC(C)c1ccc(CNc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)cc1
InChIInChI=1S/C26H23F3N2/c1-17(2)19-11-9-18(10-12-19)16-31-21-6-3-5-20(15-21)22-13-14-30-25-23(22)7-4-8-24(25)26(27,28)29/h3-15,17,31H,16H2,1-2H3
InChIKeyVRXFCFHGSBIRJR-UHFFFAOYSA-N
MW420.48 g/mol
LogP7.66
Rot. Bonds5

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

N-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline (PubChem CID 174504635) has the molecular formula C26H23F3N2 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
PubChem CID174504635
Molecular FormulaC26H23F3N2
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
SMILESCC(C)c1ccc(CNc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)cc1
InChIInChI=1S/C26H23F3N2/c1-17(2)19-11-9-18(10-12-19)16-31-21-6-3-5-20(15-21)22-13-14-30-25-23(22)7-4-8-24(25)26(27,28)29/h3-15,17,31H,16H2,1-2H3
InChIKeyVRXFCFHGSBIRJR-UHFFFAOYSA-N
XLogP7.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol
CID 174518736
N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174518869
N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 90903736
N-[(3-nitrophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174518806
6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid
CID 25224643
N-[(4-propan-2-ylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 29270698
2-(aminomethyl)-N-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methyl]aniline
CID 174518717
2-[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalen-1-yl]acetic acid
CID 25225379
N-propan-2-yl-3-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]benzenesulfonamide
CID 68875904
3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-[(6-chloro-3-pyridinyl)methyl]aniline
CID 86598764
N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine
CID 174518702
N-(1H-indol-5-ylmethyl)-3-[3-phenyl-8-(trifluoromethyl)quinolin-4-yl]aniline
CID 66914317

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline (CID 174504635) is N-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline is CC(C)c1ccc(CNc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline?
The InChIKey is VRXFCFHGSBIRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2/c1-17(2)19-11-9-18(10-12-19)16-31-21-6-3-5-20(15-21)22-13-14-30-25-23(22)7-4-8-24(25)26(27,28)29/h3-15,17,31H,16H2,1-2H3.
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline?
N-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline has a molecular weight of 420.48 g/mol, XLogP of 7.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline is sourced from PubChem (CID 174504635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).