N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine

C14H22N2O — CID 105495080

IUPACN,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine
SMILESCCN(CC)C1CNc2cccc(OC)c2C1
InChIInChI=1S/C14H22N2O/c1-4-16(5-2)11-9-12-13(15-10-11)7-6-8-14(12)17-3/h6-8,11,15H,4-5,9-10H2,1-3H3
InChIKeyJCFVCZKUARYLDC-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.37
Rot. Bonds4

About N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine

N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine (PubChem CID 105495080) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine
PubChem CID105495080
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine
SMILESCCN(CC)C1CNc2cccc(OC)c2C1
InChIInChI=1S/C14H22N2O/c1-4-16(5-2)11-9-12-13(15-10-11)7-6-8-14(12)17-3/h6-8,11,15H,4-5,9-10H2,1-3H3
InChIKeyJCFVCZKUARYLDC-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine with MolForge

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Related Compounds

[(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol
CID 130665549
N,N,5-trimethyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 105444538
3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84620814
N-ethyl-8-methoxy-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;7-[ethyl(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 143833197
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
CID 115015195
5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline
CID 117193828
4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine
CID 84723504
2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 82276657
2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63642755
2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol
CID 82977158
N-(cyclopropylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314157

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine?
The IUPAC name of N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine (CID 105495080) is N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine.
What is the SMILES notation for N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine?
The canonical SMILES for N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine is CCN(CC)C1CNc2cccc(OC)c2C1.
What is the InChIKey of N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine?
The InChIKey is JCFVCZKUARYLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-16(5-2)11-9-12-13(15-10-11)7-6-8-14(12)17-3/h6-8,11,15H,4-5,9-10H2,1-3H3.
What are the key properties of N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine?
N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine is sourced from PubChem (CID 105495080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).