3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine

C16H23N3O — CID 81052877

IUPAC3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
SMILESCC(C)OCCN(C)c1c(CN)cnc2ccccc12
InChIInChI=1S/C16H23N3O/c1-12(2)20-9-8-19(3)16-13(10-17)11-18-15-7-5-4-6-14(15)16/h4-7,11-12H,8-10,17H2,1-3H3
InChIKeyRCOKKJHXFHMRDG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.55
Rot. Bonds6

About 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine

3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine (PubChem CID 81052877) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
PubChem CID81052877
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
SMILESCC(C)OCCN(C)c1c(CN)cnc2ccccc12
InChIInChI=1S/C16H23N3O/c1-12(2)20-9-8-19(3)16-13(10-17)11-18-15-7-5-4-6-14(15)16/h4-7,11-12H,8-10,17H2,1-3H3
InChIKeyRCOKKJHXFHMRDG-UHFFFAOYSA-N
XLogP2.55
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine
CID 43669369
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol
CID 114230085
3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine
CID 43669373
3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine
CID 43669395
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide
CID 106914487
(4-propan-2-yloxyquinolin-3-yl)methanamine
CID 43669459
3-(aminomethyl)-N,N-diethylquinolin-4-amine
CID 43669325
4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine
CID 113359409
2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
CID 81061779
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine
CID 62285875
1-[methyl(2-propan-2-yloxyethyl)amino]isoquinoline-4-carboxylic acid
CID 106767321
2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478493

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine (CID 81052877) is 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine is CC(C)OCCN(C)c1c(CN)cnc2ccccc12.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine?
The InChIKey is RCOKKJHXFHMRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)20-9-8-19(3)16-13(10-17)11-18-15-7-5-4-6-14(15)16/h4-7,11-12H,8-10,17H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine?
3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine is sourced from PubChem (CID 81052877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).