2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine

C18H17ClN2 — CID 63095103

IUPAC2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine
SMILESCNC(Cc1ccccc1Cl)c1ccc2ncccc2c1
InChIInChI=1S/C18H17ClN2/c1-20-18(12-13-5-2-3-7-16(13)19)15-8-9-17-14(11-15)6-4-10-21-17/h2-11,18,20H,12H2,1H3
InChIKeyUXJWATXQNUCNBJ-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.39
Rot. Bonds4

About 2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine

2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine (PubChem CID 63095103) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine
PubChem CID63095103
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine
SMILESCNC(Cc1ccccc1Cl)c1ccc2ncccc2c1
InChIInChI=1S/C18H17ClN2/c1-20-18(12-13-5-2-3-7-16(13)19)15-8-9-17-14(11-15)6-4-10-21-17/h2-11,18,20H,12H2,1H3
InChIKeyUXJWATXQNUCNBJ-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-quinolin-6-ylethanamine
CID 63095273
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
2-(5-ethylthiophen-2-yl)-N-methyl-1-quinolin-6-ylethanamine
CID 63097564
2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol
CID 82789499
2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 82789990
2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine
CID 106867176
3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 115567050
3-cyclopentyl-N-methyl-1-quinolin-6-ylpropan-1-amine
CID 105021015
3-(furan-2-yl)-N-methyl-1-quinolin-6-ylpropan-1-amine
CID 105172364
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
1-(3-chloro-2-pyridinyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 103444108
N-methyl-2-(2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 63417370

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine (CID 63095103) is 2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine is CNC(Cc1ccccc1Cl)c1ccc2ncccc2c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine?
The InChIKey is UXJWATXQNUCNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-20-18(12-13-5-2-3-7-16(13)19)15-8-9-17-14(11-15)6-4-10-21-17/h2-11,18,20H,12H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine?
2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine has a molecular weight of 296.80 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine is sourced from PubChem (CID 63095103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).