4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

C18H20F3NO — CID 162612064

IUPAC4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESCOc1ccc(N(Cc2ccc(C(F)(F)F)cc2)C(C)C)cc1
InChIInChI=1S/C18H20F3NO/c1-13(2)22(16-8-10-17(23-3)11-9-16)12-14-4-6-15(7-5-14)18(19,20)21/h4-11,13H,12H2,1-3H3
InChIKeyKZTGOVDOTAAILO-UHFFFAOYSA-N
MW323.36 g/mol
LogP5.13
Rot. Bonds5

About 4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 162612064) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID162612064
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESCOc1ccc(N(Cc2ccc(C(F)(F)F)cc2)C(C)C)cc1
InChIInChI=1S/C18H20F3NO/c1-13(2)22(16-8-10-17(23-3)11-9-16)12-14-4-6-15(7-5-14)18(19,20)21/h4-11,13H,12H2,1-3H3
InChIKeyKZTGOVDOTAAILO-UHFFFAOYSA-N
XLogP5.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.36
LogP ≤ 55.13
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

N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline
CID 154621165
N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 138519666
4-methoxy-N-[(4-nitrophenyl)methyl]-N-propan-2-ylaniline
CID 154621314
N-butan-2-yl-4-iodo-N-[(4-methoxyphenyl)methyl]aniline
CID 154621202
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
(2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 8595558
methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-[4-(trifluoromethyl)phenyl]carbamimidothioate
CID 17256085
N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
CID 42852959
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline
CID 43276120
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55552365
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 175254129

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (CID 162612064) is 4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is COc1ccc(N(Cc2ccc(C(F)(F)F)cc2)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is KZTGOVDOTAAILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO/c1-13(2)22(16-8-10-17(23-3)11-9-16)12-14-4-6-15(7-5-14)18(19,20)21/h4-11,13H,12H2,1-3H3.
What are the key properties of 4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 323.36 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 162612064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).