N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline

C19H22F3NO — CID 154621321

IUPACN-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESCCCCN(Cc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H22F3NO/c1-3-4-12-23(17-8-10-18(24-2)11-9-17)14-15-6-5-7-16(13-15)19(20,21)22/h5-11,13H,3-4,12,14H2,1-2H3
InChIKeyOEYHXHPLHHCFPF-UHFFFAOYSA-N
MW337.39 g/mol
LogP5.52
Rot. Bonds7

About N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline

N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 154621321) has the molecular formula C19H22F3NO and a molecular weight of 337.39 g/mol. Its IUPAC name is N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound NameN-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID154621321
Molecular FormulaC19H22F3NO
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC NameN-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESCCCCN(Cc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H22F3NO/c1-3-4-12-23(17-8-10-18(24-2)11-9-17)14-15-6-5-7-16(13-15)19(20,21)22/h5-11,13H,3-4,12,14H2,1-2H3
InChIKeyOEYHXHPLHHCFPF-UHFFFAOYSA-N
XLogP5.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.39
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 154621258
4-methoxy-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-N-octylaniline
CID 142550061
N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 138518668
N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 138519666
N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine
CID 6426222
N-[(4-fluorophenyl)methyl]-N-hexyl-4-methoxyaniline
CID 154621350
N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline
CID 138518679
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]-3-(trifluoromethyl)aniline
CID 15218997
4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline
CID 154621185
N-hexyl-4-iodo-N-[(4-methoxyphenyl)methyl]aniline
CID 138518673
N-butyl-4-methoxy-N-[(4-nitrophenyl)methyl]aniline
CID 138347461

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (CID 154621321) is N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is CCCCN(Cc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1.
What is the InChIKey of N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is OEYHXHPLHHCFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO/c1-3-4-12-23(17-8-10-18(24-2)11-9-17)14-15-6-5-7-16(13-15)19(20,21)22/h5-11,13H,3-4,12,14H2,1-2H3.
What are the key properties of N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 337.39 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 154621321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).