N-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine

C16H22N2O — CID 82449750

IUPACN-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine
SMILESCCCCNCc1cc(C)nc2ccc(OC)cc12
InChIInChI=1S/C16H22N2O/c1-4-5-8-17-11-13-9-12(2)18-16-7-6-14(19-3)10-15(13)16/h6-7,9-10,17H,4-5,8,11H2,1-3H3
InChIKeyIRFVLJMVRCPZSC-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.44
Rot. Bonds6

About N-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine

N-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine (PubChem CID 82449750) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine
PubChem CID82449750
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine
SMILESCCCCNCc1cc(C)nc2ccc(OC)cc12
InChIInChI=1S/C16H22N2O/c1-4-5-8-17-11-13-9-12(2)18-16-7-6-14(19-3)10-15(13)16/h6-7,9-10,17H,4-5,8,11H2,1-3H3
InChIKeyIRFVLJMVRCPZSC-UHFFFAOYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine
CID 82449062
2-(butylaminomethyl)-5-methoxyaniline
CID 115413844
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]decan-1-amine
CID 82887891
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
N-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]butan-1-amine
CID 50850628
N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine
CID 11407724
N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
CID 78943020
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
N-[(6-chloro-2-methylquinolin-4-yl)methyl]ethanamine
CID 82449107
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine?
The IUPAC name of N-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine (CID 82449750) is N-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine is CCCCNCc1cc(C)nc2ccc(OC)cc12.
What is the InChIKey of N-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine?
The InChIKey is IRFVLJMVRCPZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-5-8-17-11-13-9-12(2)18-16-7-6-14(19-3)10-15(13)16/h6-7,9-10,17H,4-5,8,11H2,1-3H3.
What are the key properties of N-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine?
N-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 82449750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).