(3-chloro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine

C18H17ClN2 — CID 107102897

IUPAC(3-chloro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine
SMILESCc1ccc2cc(C(N)c3cccc(Cl)c3C)ccc2n1
InChIInChI=1S/C18H17ClN2/c1-11-6-7-13-10-14(8-9-17(13)21-11)18(20)15-4-3-5-16(19)12(15)2/h3-10,18H,20H2,1-2H3
InChIKeyXSWPTMQNHZJKMS-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.55
Rot. Bonds2

About (3-chloro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine

(3-chloro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine (PubChem CID 107102897) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine
PubChem CID107102897
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name(3-chloro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine
SMILESCc1ccc2cc(C(N)c3cccc(Cl)c3C)ccc2n1
InChIInChI=1S/C18H17ClN2/c1-11-6-7-13-10-14(8-9-17(13)21-11)18(20)15-4-3-5-16(19)12(15)2/h3-10,18H,20H2,1-2H3
InChIKeyXSWPTMQNHZJKMS-UHFFFAOYSA-N
XLogP4.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine?
The IUPAC name of (3-chloro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine (CID 107102897) is (3-chloro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine?
The canonical SMILES for (3-chloro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine is Cc1ccc2cc(C(N)c3cccc(Cl)c3C)ccc2n1.
What is the InChIKey of (3-chloro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine?
The InChIKey is XSWPTMQNHZJKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-11-6-7-13-10-14(8-9-17(13)21-11)18(20)15-4-3-5-16(19)12(15)2/h3-10,18H,20H2,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine?
(3-chloro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine has a molecular weight of 296.80 g/mol, XLogP of 4.55, 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)-(2-methylquinolin-6-yl)methanamine is sourced from PubChem (CID 107102897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).