N-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine

C18H18N2O — CID 106486733

IUPACN-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine
SMILESCNCc1ccc(Oc2nc3ccccc3cc2C)cc1
InChIInChI=1S/C18H18N2O/c1-13-11-15-5-3-4-6-17(15)20-18(13)21-16-9-7-14(8-10-16)12-19-2/h3-11,19H,12H2,1-2H3
InChIKeyVSPYVGZCAQDWMN-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.05
Rot. Bonds4

About N-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine

N-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine (PubChem CID 106486733) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine
PubChem CID106486733
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine
SMILESCNCc1ccc(Oc2nc3ccccc3cc2C)cc1
InChIInChI=1S/C18H18N2O/c1-13-11-15-5-3-4-6-17(15)20-18(13)21-16-9-7-14(8-10-16)12-19-2/h3-11,19H,12H2,1-2H3
InChIKeyVSPYVGZCAQDWMN-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenoxy)quinolin-3-yl]-N-methylmethanamine
CID 43283154
1-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-methylmethanamine
CID 69154883
[4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
CID 61229145
1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine
CID 107387718
N-methyl-1-(2-methyl-4-quinolin-3-yloxyphenyl)methanamine
CID 107387603
N-methyl-1-(4-quinolin-2-ylphenyl)methanamine
CID 116645004
1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106486635
(3-methyl-2-phenoxyquinolin-6-yl)borinic acid
CID 143877854
N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62698762
N-methyl-1-[5-methyl-6-(4-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 80635782
N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine
CID 107387617
1-[6-(3,4-dimethylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635573

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine (CID 106486733) is N-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine is CNCc1ccc(Oc2nc3ccccc3cc2C)cc1.
What is the InChIKey of N-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine?
The InChIKey is VSPYVGZCAQDWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-11-15-5-3-4-6-17(15)20-18(13)21-16-9-7-14(8-10-16)12-19-2/h3-11,19H,12H2,1-2H3.
What are the key properties of N-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine?
N-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine has a molecular weight of 278.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine is sourced from PubChem (CID 106486733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).