N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine

C14H19N3O — CID 63767208

IUPACN-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NCCOCCN
InChIInChI=1S/C14H19N3O/c1-11-10-12-4-2-3-5-13(12)17-14(11)16-7-9-18-8-6-15/h2-5,10H,6-9,15H2,1H3,(H,16,17)
InChIKeyVQOZDLCMFCKLFO-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.93
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine

N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine (PubChem CID 63767208) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine
PubChem CID63767208
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NCCOCCN
InChIInChI=1S/C14H19N3O/c1-11-10-12-4-2-3-5-13(12)17-14(11)16-7-9-18-8-6-15/h2-5,10H,6-9,15H2,1H3,(H,16,17)
InChIKeyVQOZDLCMFCKLFO-UHFFFAOYSA-N
XLogP1.93
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 63229477
3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine
CID 106287148
3-methyl-N-(7-methyloctyl)quinolin-2-amine
CID 107816294
3-methyl-3-N-(3-methylquinolin-2-yl)pentane-1,3-diamine
CID 106165971
N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide
CID 63228938
1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 63730578
N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine
CID 79717746
N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine
CID 106154673
N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide
CID 55175937
N-[2-(2-aminoethoxy)ethyl]phthalazin-1-amine
CID 63767046
2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 64550319
N-[(2-ethylphenyl)methyl]-3-methylquinolin-2-amine
CID 64693443

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine (CID 63767208) is N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine is Cc1cc2ccccc2nc1NCCOCCN.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine?
The InChIKey is VQOZDLCMFCKLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-10-12-4-2-3-5-13(12)17-14(11)16-7-9-18-8-6-15/h2-5,10H,6-9,15H2,1H3,(H,16,17).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine?
N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine is sourced from PubChem (CID 63767208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).