N-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine

C19H24N2O2 — CID 110452277

IUPACN-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCOc1ccc(OCCNc2ccc3c(c2)CCCN3C)cc1
InChIInChI=1S/C19H24N2O2/c1-21-12-3-4-15-14-16(5-10-19(15)21)20-11-13-23-18-8-6-17(22-2)7-9-18/h5-10,14,20H,3-4,11-13H2,1-2H3
InChIKeyQWJYTMYWPOLAJP-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.57
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine

N-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 110452277) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
PubChem CID110452277
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCOc1ccc(OCCNc2ccc3c(c2)CCCN3C)cc1
InChIInChI=1S/C19H24N2O2/c1-21-12-3-4-15-14-16(5-10-19(15)21)20-11-13-23-18-8-6-17(22-2)7-9-18/h5-10,14,20H,3-4,11-13H2,1-2H3
InChIKeyQWJYTMYWPOLAJP-UHFFFAOYSA-N
XLogP3.57
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2,3-dihydroindol-5-amine
CID 82538749
N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82538735
4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 110729178
N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine
CID 82539703
N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82537025
3-methoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62096662
1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine
CID 110452960
N-[2-(4-chlorophenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 110452234
6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid
CID 82539109
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 60679168
4-[2-(4-methoxyanilino)ethoxy]phenol
CID 71735773

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine (CID 110452277) is N-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine is COc1ccc(OCCNc2ccc3c(c2)CCCN3C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is QWJYTMYWPOLAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-21-12-3-4-15-14-16(5-10-19(15)21)20-11-13-23-18-8-6-17(22-2)7-9-18/h5-10,14,20H,3-4,11-13H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
N-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 312.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 110452277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).