N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine

C18H26N2O — CID 82449722

IUPACN-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(C(C)(C)C)nc2c(OC)cccc12
InChIInChI=1S/C18H26N2O/c1-6-10-19-12-13-11-16(18(2,3)4)20-17-14(13)8-7-9-15(17)21-5/h7-9,11,19H,6,10,12H2,1-5H3
InChIKeyUASCBURFPXBMJR-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.04
Rot. Bonds5

About N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine

N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine (PubChem CID 82449722) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine
PubChem CID82449722
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(C(C)(C)C)nc2c(OC)cccc12
InChIInChI=1S/C18H26N2O/c1-6-10-19-12-13-11-16(18(2,3)4)20-17-14(13)8-7-9-15(17)21-5/h7-9,11,19H,6,10,12H2,1-5H3
InChIKeyUASCBURFPXBMJR-UHFFFAOYSA-N
XLogP4.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.04
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-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine
CID 82448981
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
2-tert-butyl-N-ethyl-8-propoxyquinolin-4-amine
CID 63481575
1-(8-methoxy-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82449649
N-[[2-(2-ethylbutoxy)-3-methoxyphenyl]methyl]propan-1-amine
CID 82927622
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43388382
2-tert-butyl-8-methyl-N-propylquinolin-4-amine
CID 63481487
N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine
CID 82448776
N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449656
N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
CID 19900495
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
4-[2-methoxy-6-(propylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65246924

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine (CID 82449722) is N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine is CCCNCc1cc(C(C)(C)C)nc2c(OC)cccc12.
What is the InChIKey of N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine?
The InChIKey is UASCBURFPXBMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-6-10-19-12-13-11-16(18(2,3)4)20-17-14(13)8-7-9-15(17)21-5/h7-9,11,19H,6,10,12H2,1-5H3.
What are the key properties of N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine?
N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 82449722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).