2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine

C16H21ClN2 — CID 107628716

IUPAC2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc2c(Cl)ccc(C)c12
InChIInChI=1S/C16H21ClN2/c1-6-18-12-9-13(16(3,4)5)19-15-11(17)8-7-10(2)14(12)15/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyZSVSSOHIDSIPNS-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.93
Rot. Bonds2

About 2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine

2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine (PubChem CID 107628716) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine
PubChem CID107628716
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc2c(Cl)ccc(C)c12
InChIInChI=1S/C16H21ClN2/c1-6-18-12-9-13(16(3,4)5)19-15-11(17)8-7-10(2)14(12)15/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyZSVSSOHIDSIPNS-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
CID 55194440
8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 82758076
5,8-dichloro-N,2-diethylquinolin-4-amine
CID 63480217
7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 55197100
7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
CID 107628611
2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine
CID 63479601
2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine
CID 63484388
2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine
CID 63480563
5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine
CID 63479847
8-bromo-2-tert-butyl-N-ethyl-5-fluoroquinolin-4-amine
CID 107628952
N-ethyl-5,8-dimethyl-2-propylquinolin-4-amine
CID 63481279
2-tert-butyl-5-chloro-8-methylquinolin-4-amine
CID 62202543

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine?
The IUPAC name of 2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine (CID 107628716) is 2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine?
The canonical SMILES for 2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine is CCNc1cc(C(C)(C)C)nc2c(Cl)ccc(C)c12.
What is the InChIKey of 2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine?
The InChIKey is ZSVSSOHIDSIPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-6-18-12-9-13(16(3,4)5)19-15-11(17)8-7-10(2)14(12)15/h7-9H,6H2,1-5H3,(H,18,19).
What are the key properties of 2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine?
2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine has a molecular weight of 276.81 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine is sourced from PubChem (CID 107628716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).