6-(4-chlorophenoxy)-N,N-diethyl-4-(trifluoromethyl)quinolin-2-amine

C20H18ClF3N2O — CID 150001118

IUPAC6-(4-chlorophenoxy)-N,N-diethyl-4-(trifluoromethyl)quinolin-2-amine
SMILESCCN(CC)c1cc(C(F)(F)F)c2cc(Oc3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C20H18ClF3N2O/c1-3-26(4-2)19-12-17(20(22,23)24)16-11-15(9-10-18(16)25-19)27-14-7-5-13(21)6-8-14/h5-12H,3-4H2,1-2H3
InChIKeyDBHUIIVFOWHHTR-UHFFFAOYSA-N
MW394.82 g/mol
LogP6.55
Rot. Bonds5

About 6-(4-chlorophenoxy)-N,N-diethyl-4-(trifluoromethyl)quinolin-2-amine

6-(4-chlorophenoxy)-N,N-diethyl-4-(trifluoromethyl)quinolin-2-amine (PubChem CID 150001118) has the molecular formula C20H18ClF3N2O and a molecular weight of 394.82 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-N,N-diethyl-4-(trifluoromethyl)quinolin-2-amine.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-N,N-diethyl-4-(trifluoromethyl)quinolin-2-amine
PubChem CID150001118
Molecular FormulaC20H18ClF3N2O
Molecular Weight394.82 g/mol
Exact Mass394.11
IUPAC Name6-(4-chlorophenoxy)-N,N-diethyl-4-(trifluoromethyl)quinolin-2-amine
SMILESCCN(CC)c1cc(C(F)(F)F)c2cc(Oc3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C20H18ClF3N2O/c1-3-26(4-2)19-12-17(20(22,23)24)16-11-15(9-10-18(16)25-19)27-14-7-5-13(21)6-8-14/h5-12H,3-4H2,1-2H3
InChIKeyDBHUIIVFOWHHTR-UHFFFAOYSA-N
XLogP6.55
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.82
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Obefazimod
CID 49846599
7-[[3-[(Dimethylamino)methyl]phenoxy]methyl]quinolin-2-Amine
CID 91971383
7-[[4-Chloranyl-3-(Methylaminomethyl)phenoxy]methyl]quinolin-2-Amine
CID 91971388
2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline
CID 71542890
(4-Ethoxy-phenyl)-(4-methyl-quinolin-2-yl)-amine
CID 747022
2-[4-(4-Methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
4-(6-Methoxy-4-methylquinolin-2-yl)morpholine
CID 771622
(2-Chloro-quinazolin-4-yl)-(4-trifluoromethoxy-phenyl)-methyl-amine
CID 11164045
4-Quinazolinamine, 2,7-dichloro-N-(4-methoxyphenyl)-N-methyl-
CID 11232895
4-Quinazolinamine, 2-chloro-N-(4-ethoxyphenyl)-N-methyl-
CID 11278434
4-Quinazolinamine, 2,6-dichloro-N-(4-methoxyphenyl)-N-methyl-
CID 11393463
1-(2-Chloroquinazolin-4-yl)-7-methoxy-2,3,4,5-tetrahydro-1-benzazepine
CID 76321906

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-N,N-diethyl-4-(trifluoromethyl)quinolin-2-amine?
The IUPAC name of 6-(4-chlorophenoxy)-N,N-diethyl-4-(trifluoromethyl)quinolin-2-amine (CID 150001118) is 6-(4-chlorophenoxy)-N,N-diethyl-4-(trifluoromethyl)quinolin-2-amine.
What is the SMILES notation for 6-(4-chlorophenoxy)-N,N-diethyl-4-(trifluoromethyl)quinolin-2-amine?
The canonical SMILES for 6-(4-chlorophenoxy)-N,N-diethyl-4-(trifluoromethyl)quinolin-2-amine is CCN(CC)c1cc(C(F)(F)F)c2cc(Oc3ccc(Cl)cc3)ccc2n1.
What is the InChIKey of 6-(4-chlorophenoxy)-N,N-diethyl-4-(trifluoromethyl)quinolin-2-amine?
The InChIKey is DBHUIIVFOWHHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N2O/c1-3-26(4-2)19-12-17(20(22,23)24)16-11-15(9-10-18(16)25-19)27-14-7-5-13(21)6-8-14/h5-12H,3-4H2,1-2H3.
What are the key properties of 6-(4-chlorophenoxy)-N,N-diethyl-4-(trifluoromethyl)quinolin-2-amine?
6-(4-chlorophenoxy)-N,N-diethyl-4-(trifluoromethyl)quinolin-2-amine has a molecular weight of 394.82 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-N,N-diethyl-4-(trifluoromethyl)quinolin-2-amine is sourced from PubChem (CID 150001118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).