2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine

C18H17ClN2 — CID 81210403

IUPAC2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1cccc2ncccc12
InChIInChI=1S/C18H17ClN2/c1-20-18(12-13-7-9-14(19)10-8-13)16-4-2-6-17-15(16)5-3-11-21-17/h2-11,18,20H,12H2,1H3
InChIKeyDZTWYXVSMBHTRN-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.39
Rot. Bonds4

About 2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine

2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine (PubChem CID 81210403) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine
PubChem CID81210403
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1cccc2ncccc12
InChIInChI=1S/C18H17ClN2/c1-20-18(12-13-7-9-14(19)10-8-13)16-4-2-6-17-15(16)5-3-11-21-17/h2-11,18,20H,12H2,1H3
InChIKeyDZTWYXVSMBHTRN-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-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylethanamine
CID 81209499
2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 105085579
2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine
CID 105151840
N-methyl-2-(2-methylphenyl)-1-quinolin-5-ylethanamine
CID 81227621
[2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine
CID 105195623
[2-(4-fluorophenyl)-1-quinolin-5-ylethyl]hydrazine
CID 105198380
N-methyl-1-quinolin-5-ylpent-4-yn-1-amine
CID 105149256
2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine
CID 81232043
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine
CID 81232102
1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 115604968
2-(3-chlorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105085790
1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 107994637

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine (CID 81210403) is 2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine is CNC(Cc1ccc(Cl)cc1)c1cccc2ncccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine?
The InChIKey is DZTWYXVSMBHTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-20-18(12-13-7-9-14(19)10-8-13)16-4-2-6-17-15(16)5-3-11-21-17/h2-11,18,20H,12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine?
2-(4-chlorophenyl)-N-methyl-1-quinolin-5-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-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine is sourced from PubChem (CID 81210403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).