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

C18H20F3NO — CID 154621258

IUPAC4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESCCCN(Cc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H20F3NO/c1-3-11-22(16-7-9-17(23-2)10-8-16)13-14-5-4-6-15(12-14)18(19,20)21/h4-10,12H,3,11,13H2,1-2H3
InChIKeyHHQRFJAPNGCWKL-UHFFFAOYSA-N
MW323.36 g/mol
LogP5.13
Rot. Bonds6

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

4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 154621258) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID154621258
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESCCCN(Cc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H20F3NO/c1-3-11-22(16-7-9-17(23-2)10-8-16)13-14-5-4-6-15(12-14)18(19,20)21/h4-10,12H,3,11,13H2,1-2H3
InChIKeyHHQRFJAPNGCWKL-UHFFFAOYSA-N
XLogP5.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 154621321
N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 138519666
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
4-methoxy-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-N-octylaniline
CID 142550061
2-[propyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetonitrile
CID 61224322
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]-3-(trifluoromethyl)aniline
CID 15218997
1,1,1-trifluoro-3-[3-methoxy-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
CID 24888195
N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine
CID 6426222
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787907
N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 138518668
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (CID 154621258) is 4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is CCCN(Cc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is HHQRFJAPNGCWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO/c1-3-11-22(16-7-9-17(23-2)10-8-16)13-14-5-4-6-15(12-14)18(19,20)21/h4-10,12H,3,11,13H2,1-2H3.
What are the key properties of 4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 323.36 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 154621258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).