2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine

C17H14Cl2N2 — CID 81227860

IUPAC2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)c1cccc2ncccc12
InChIInChI=1S/C17H14Cl2N2/c18-14-6-2-7-15(19)13(14)10-16(20)11-4-1-8-17-12(11)5-3-9-21-17/h1-9,16H,10,20H2
InChIKeyKPSBEWMFXHIRAX-UHFFFAOYSA-N
MW317.22 g/mol
LogP4.78
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine

2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine (PubChem CID 81227860) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine
PubChem CID81227860
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)c1cccc2ncccc12
InChIInChI=1S/C17H14Cl2N2/c18-14-6-2-7-15(19)13(14)10-16(20)11-4-1-8-17-12(11)5-3-9-21-17/h1-9,16H,10,20H2
InChIKeyKPSBEWMFXHIRAX-UHFFFAOYSA-N
XLogP4.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine
CID 82787833
(2-chlorophenyl)-quinolin-5-ylmethanamine
CID 81231454
2-(5-chlorothiophen-2-yl)-1-quinolin-5-ylethanamine
CID 105135125
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine
CID 62602413
2-(furan-3-yl)-1-quinolin-5-ylethanamine
CID 105177642
4-methyl-1-quinolin-5-ylpentan-1-amine
CID 81232092
(1R)-1-quinolin-5-ylethanamine
CID 55277010
2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine
CID 105134595
2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine
CID 81227594
2-cyclopropyl-1-quinolin-5-ylethanamine
CID 79015948

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine (CID 81227860) is 2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine is NC(Cc1c(Cl)cccc1Cl)c1cccc2ncccc12.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine?
The InChIKey is KPSBEWMFXHIRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c18-14-6-2-7-15(19)13(14)10-16(20)11-4-1-8-17-12(11)5-3-9-21-17/h1-9,16H,10,20H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine?
2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine has a molecular weight of 317.22 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine is sourced from PubChem (CID 81227860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).