2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine

C14H17ClN2 — CID 116997857

IUPAC2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine
SMILESCCNCCc1ccc2nc(Cl)c(C)cc2c1
InChIInChI=1S/C14H17ClN2/c1-3-16-7-6-11-4-5-13-12(9-11)8-10(2)14(15)17-13/h4-5,8-9,16H,3,6-7H2,1-2H3
InChIKeyVBVWSOIQVFAQAM-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.35
Rot. Bonds4

About 2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine

2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine (PubChem CID 116997857) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine
PubChem CID116997857
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine
SMILESCCNCCc1ccc2nc(Cl)c(C)cc2c1
InChIInChI=1S/C14H17ClN2/c1-3-16-7-6-11-4-5-13-12(9-11)8-10(2)14(15)17-13/h4-5,8-9,16H,3,6-7H2,1-2H3
InChIKeyVBVWSOIQVFAQAM-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine
CID 116997859
2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde
CID 116997865
N-ethyl-2-(3-methylquinolin-6-yl)ethanamine
CID 116997407
4-(2-chloro-3-methylquinolin-6-yl)-2-methylbutan-1-amine
CID 116997855
N-ethyl-2-(2-methyl-1,3-benzothiazol-6-yl)ethanamine
CID 116999819
2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen
CID 145215034
N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine
CID 139471599
2-chloro-4-[2-(ethylamino)ethyl]phenol
CID 64868775
6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine
CID 116999742
6-butyl-2-chloroquinoline-3-carbaldehyde
CID 5019167
2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
CID 69026677
N-ethyl-2-quinolin-7-ylethanamine
CID 81224928

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine?
The IUPAC name of 2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine (CID 116997857) is 2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine is CCNCCc1ccc2nc(Cl)c(C)cc2c1.
What is the InChIKey of 2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine?
The InChIKey is VBVWSOIQVFAQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-3-16-7-6-11-4-5-13-12(9-11)8-10(2)14(15)17-13/h4-5,8-9,16H,3,6-7H2,1-2H3.
What are the key properties of 2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine?
2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine has a molecular weight of 248.76 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methylquinolin-6-yl)-N-ethylethanamine is sourced from PubChem (CID 116997857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).