(3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine

C17H15ClN2 — CID 107102903

IUPAC(3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine
SMILESCc1c(Cl)cccc1C(N)c1cccc2cccnc12
InChIInChI=1S/C17H15ClN2/c1-11-13(7-3-9-15(11)18)16(19)14-8-2-5-12-6-4-10-20-17(12)14/h2-10,16H,19H2,1H3
InChIKeyGKQMPJVNPBLEAH-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.24
Rot. Bonds2

About (3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine

(3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine (PubChem CID 107102903) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine
PubChem CID107102903
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name(3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine
SMILESCc1c(Cl)cccc1C(N)c1cccc2cccnc12
InChIInChI=1S/C17H15ClN2/c1-11-13(7-3-9-15(11)18)16(19)14-8-2-5-12-6-4-10-20-17(12)14/h2-10,16H,19H2,1H3
InChIKeyGKQMPJVNPBLEAH-UHFFFAOYSA-N
XLogP4.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylsulfanylphenyl)-quinolin-8-ylmethanamine
CID 105021362
quinolin-8-yl-(2,4,6-trimethylphenyl)methanamine
CID 115604891
(2,3-difluorophenyl)-quinolin-8-ylmethanamine
CID 105021274
(3-chloro-4-iodophenyl)-quinolin-8-ylmethanamine
CID 103215987
8-chloroquinoline;ethane
CID 142246255
(3-methylthiophen-2-yl)-quinolin-8-ylmethanamine
CID 113230034
1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine
CID 107102914
(3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine
CID 106648293
8-(dichloromethyl)quinoline
CID 19989328
quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105172503
(2-ethylpyrazol-3-yl)-quinolin-8-ylmethanamine
CID 105148379
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine?
The IUPAC name of (3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine (CID 107102903) is (3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine.
What is the SMILES notation for (3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine?
The canonical SMILES for (3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine is Cc1c(Cl)cccc1C(N)c1cccc2cccnc12.
What is the InChIKey of (3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine?
The InChIKey is GKQMPJVNPBLEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-11-13(7-3-9-15(11)18)16(19)14-8-2-5-12-6-4-10-20-17(12)14/h2-10,16H,19H2,1H3.
What are the key properties of (3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine?
(3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine has a molecular weight of 282.77 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine is sourced from PubChem (CID 107102903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).