N-(ethoxymethyl)-1,2,3,4-tetrahydroquinolin-4-amine

C12H18N2O — CID 143386559

IUPACN-(ethoxymethyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCCOCNC1CCNc2ccccc21
InChIInChI=1S/C12H18N2O/c1-2-15-9-14-12-7-8-13-11-6-4-3-5-10(11)12/h3-6,12-14H,2,7-9H2,1H3
InChIKeyUGNUQETUDWIRMF-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.13
Rot. Bonds4

About N-(ethoxymethyl)-1,2,3,4-tetrahydroquinolin-4-amine

N-(ethoxymethyl)-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 143386559) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(ethoxymethyl)-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound NameN-(ethoxymethyl)-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID143386559
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(ethoxymethyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCCOCNC1CCNc2ccccc21
InChIInChI=1S/C12H18N2O/c1-2-15-9-14-12-7-8-13-11-6-4-3-5-10(11)12/h3-6,12-14H,2,7-9H2,1H3
InChIKeyUGNUQETUDWIRMF-UHFFFAOYSA-N
XLogP2.13
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxy-2-methylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
CID 119050032
N-cyclopropyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105443290
N-cyclohexyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105488657
4-methoxy-1,2,3,4-tetrahydroquinoline
CID 82275496
N-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine
CID 76853849
N-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)methanamine;hydrochloride
CID 165145771
(5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
CID 99837880
1,2,3,4-tetrahydroquinolin-4-yl propanoate
CID 70393820
4-(ethylsulfonylmethyl)-1,2,3,4-tetrahydroquinoline
CID 115104486
(4R)-1,2,3,4-tetrahydroquinolin-4-amine
CID 29243671
(4S)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 96619807
4-(bromomethyl)-1,2,3,4-tetrahydroquinoline
CID 119093179

Frequently Asked Questions

What is the IUPAC name of N-(ethoxymethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of N-(ethoxymethyl)-1,2,3,4-tetrahydroquinolin-4-amine (CID 143386559) is N-(ethoxymethyl)-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for N-(ethoxymethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for N-(ethoxymethyl)-1,2,3,4-tetrahydroquinolin-4-amine is CCOCNC1CCNc2ccccc21.
What is the InChIKey of N-(ethoxymethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is UGNUQETUDWIRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-15-9-14-12-7-8-13-11-6-4-3-5-10(11)12/h3-6,12-14H,2,7-9H2,1H3.
What are the key properties of N-(ethoxymethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
N-(ethoxymethyl)-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 206.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 143386559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).