N-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine

C14H15F3N2 — CID 63231864

IUPACN-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine
SMILESCCNc1nc2c(F)c(F)c(F)cc2cc1C(C)C
InChIInChI=1S/C14H15F3N2/c1-4-18-14-9(7(2)3)5-8-6-10(15)11(16)12(17)13(8)19-14/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyYJZFOCMBSGQHFV-UHFFFAOYSA-N
MW268.28 g/mol
LogP4.21
Rot. Bonds3

About N-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine

N-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine (PubChem CID 63231864) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound NameN-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine
PubChem CID63231864
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC NameN-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine
SMILESCCNc1nc2c(F)c(F)c(F)cc2cc1C(C)C
InChIInChI=1S/C14H15F3N2/c1-4-18-14-9(7(2)3)5-8-6-10(15)11(16)12(17)13(8)19-14/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyYJZFOCMBSGQHFV-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-ethyl-6,8-difluoro-3-propan-2-ylquinolin-2-amine
CID 102855129
5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine
CID 63524202
7,8-dichloro-N-ethyl-3-propan-2-ylquinolin-2-amine
CID 63524899
8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine
CID 63525062
N-ethyl-3,6-di(propan-2-yl)quinolin-2-amine
CID 63525945
8-fluoro-3-propan-2-yl-N-propylquinolin-2-amine
CID 63524722
7-chloro-N-ethyl-6-methyl-3-propan-2-ylquinolin-2-amine
CID 104722127
N-ethyl-3-propan-2-yl-8-propoxyquinolin-2-amine
CID 63529541
N-ethyl-8-(methoxymethyl)-3-propan-2-ylquinolin-2-amine
CID 55175771
N-ethyl-5,6,8-trifluoro-3-propylquinolin-2-amine
CID 55223170
(7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine
CID 63233124
8-chloro-N-ethyl-5-methyl-3-propan-2-ylquinolin-2-amine
CID 107629224

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine?
The IUPAC name of N-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine (CID 63231864) is N-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for N-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for N-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine is CCNc1nc2c(F)c(F)c(F)cc2cc1C(C)C.
What is the InChIKey of N-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine?
The InChIKey is YJZFOCMBSGQHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-4-18-14-9(7(2)3)5-8-6-10(15)11(16)12(17)13(8)19-14/h5-7H,4H2,1-3H3,(H,18,19).
What are the key properties of N-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine?
N-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine has a molecular weight of 268.28 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 63231864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).