N-butyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexa-1,3-dien-1-amine

C19H24F3NO — CID 138519213

IUPACN-butyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexa-1,3-dien-1-amine
SMILESCCCCN(Cc1ccc(C(F)(F)F)cc1)C1=CC=C(OC)CC1
InChIInChI=1S/C19H24F3NO/c1-3-4-13-23(17-9-11-18(24-2)12-10-17)14-15-5-7-16(8-6-15)19(20,21)22/h5-9,11H,3-4,10,12-14H2,1-2H3
InChIKeySDGNHKSYRPSVDL-UHFFFAOYSA-N
MW339.40 g/mol
LogP5.52
Rot. Bonds7

About N-butyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexa-1,3-dien-1-amine

N-butyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexa-1,3-dien-1-amine (PubChem CID 138519213) has the molecular formula C19H24F3NO and a molecular weight of 339.40 g/mol. Its IUPAC name is N-butyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-butyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexa-1,3-dien-1-amine
PubChem CID138519213
Molecular FormulaC19H24F3NO
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-butyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexa-1,3-dien-1-amine
SMILESCCCCN(Cc1ccc(C(F)(F)F)cc1)C1=CC=C(OC)CC1
InChIInChI=1S/C19H24F3NO/c1-3-4-13-23(17-9-11-18(24-2)12-10-17)14-15-5-7-16(8-6-15)19(20,21)22/h5-9,11H,3-4,10,12-14H2,1-2H3
InChIKeySDGNHKSYRPSVDL-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 ≤ 500339.40
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of N-butyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexa-1,3-dien-1-amine (CID 138519213) is N-butyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-butyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-butyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexa-1,3-dien-1-amine is CCCCN(Cc1ccc(C(F)(F)F)cc1)C1=CC=C(OC)CC1.
What is the InChIKey of N-butyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexa-1,3-dien-1-amine?
The InChIKey is SDGNHKSYRPSVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO/c1-3-4-13-23(17-9-11-18(24-2)12-10-17)14-15-5-7-16(8-6-15)19(20,21)22/h5-9,11H,3-4,10,12-14H2,1-2H3.
What are the key properties of N-butyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexa-1,3-dien-1-amine?
N-butyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexa-1,3-dien-1-amine has a molecular weight of 339.40 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-[[4-(trifluoromethyl)phenyl]methyl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 138519213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).