2-[2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine

C18H21ClN2 — CID 63783725

IUPAC2-[2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCc1ccc2c(c1)CCCN2c1cccc(Cl)c1CCN
InChIInChI=1S/C18H21ClN2/c1-13-7-8-17-14(12-13)4-3-11-21(17)18-6-2-5-16(19)15(18)9-10-20/h2,5-8,12H,3-4,9-11,20H2,1H3
InChIKeyAWZASZYEODNMBZ-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.23
Rot. Bonds3

About 2-[2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine

2-[2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (PubChem CID 63783725) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-[2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
PubChem CID63783725
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name2-[2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCc1ccc2c(c1)CCCN2c1cccc(Cl)c1CCN
InChIInChI=1S/C18H21ClN2/c1-13-7-8-17-14(12-13)4-3-11-21(17)18-6-2-5-16(19)15(18)9-10-20/h2,5-8,12H,3-4,9-11,20H2,1H3
InChIKeyAWZASZYEODNMBZ-UHFFFAOYSA-N
XLogP4.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-2-(chloromethyl)phenyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 28946471
2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63512095
2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63784065
4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 115468460
1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 22194542
4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
CID 114843888
[6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine
CID 81249502
N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methyl]ethanamine
CID 43281288
3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 63405916
5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide
CID 61305136
6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline
CID 21297656
4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine
CID 106750204

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (CID 63783725) is 2-[2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is Cc1ccc2c(c1)CCCN2c1cccc(Cl)c1CCN.
What is the InChIKey of 2-[2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The InChIKey is AWZASZYEODNMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-13-7-8-17-14(12-13)4-3-11-21(17)18-6-2-5-16(19)15(18)9-10-20/h2,5-8,12H,3-4,9-11,20H2,1H3.
What are the key properties of 2-[2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
2-[2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine has a molecular weight of 300.83 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63783725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).