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

C16H20N2O — CID 78957492

IUPACN-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
SMILESCc1cc(CNCC2(C)COC2)c2ccccc2n1
InChIInChI=1S/C16H20N2O/c1-12-7-13(8-17-9-16(2)10-19-11-16)14-5-3-4-6-15(14)18-12/h3-7,17H,8-11H2,1-2H3
InChIKeyMTXLGWBYJAZUFQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.67
Rot. Bonds4

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

N-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine (PubChem CID 78957492) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
PubChem CID78957492
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
SMILESCc1cc(CNCC2(C)COC2)c2ccccc2n1
InChIInChI=1S/C16H20N2O/c1-12-7-13(8-17-9-16(2)10-19-11-16)14-5-3-4-6-15(14)18-12/h3-7,17H,8-11H2,1-2H3
InChIKeyMTXLGWBYJAZUFQ-UHFFFAOYSA-N
XLogP2.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 79033204
1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957495
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 78943729
2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 78942785
N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
CID 78943321
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
N-[(3-methyloxetan-3-yl)methyl]quinolin-4-amine
CID 177002729
N-[(3-methyloxetan-3-yl)methyl]-1-quinolin-8-ylmethanamine
CID 78957176
1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978652

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine (CID 78957492) is N-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine is Cc1cc(CNCC2(C)COC2)c2ccccc2n1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine?
The InChIKey is MTXLGWBYJAZUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-7-13(8-17-9-16(2)10-19-11-16)14-5-3-4-6-15(14)18-12/h3-7,17H,8-11H2,1-2H3.
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine?
N-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine has a molecular weight of 256.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine is sourced from PubChem (CID 78957492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).