N-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C18H22N2O — CID 141138632

IUPACN-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1ccc(COCCNC2CCCc3cccnc32)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-15(7-3-1)14-21-13-12-19-17-10-4-8-16-9-5-11-20-18(16)17/h1-3,5-7,9,11,17,19H,4,8,10,12-14H2
InChIKeyXUNURDSVPQDNGK-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.27
Rot. Bonds6

About N-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 141138632) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID141138632
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1ccc(COCCNC2CCCc3cccnc32)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-15(7-3-1)14-21-13-12-19-17-10-4-8-16-9-5-11-20-18(16)17/h1-3,5-7,9,11,17,19H,4,8,10,12-14H2
InChIKeyXUNURDSVPQDNGK-UHFFFAOYSA-N
XLogP3.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11736560
N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080293
2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol
CID 102772782
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
CID 107316747
N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079663
N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
CID 142667915
N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 114158536
N-(2-methylprop-2-enyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114615760
[1-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]cyclopropyl]methanol
CID 113313175
N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
CID 97132888

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 141138632) is N-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine is c1ccc(COCCNC2CCCc3cccnc32)cc1.
What is the InChIKey of N-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is XUNURDSVPQDNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-6-15(7-3-1)14-21-13-12-19-17-10-4-8-16-9-5-11-20-18(16)17/h1-3,5-7,9,11,17,19H,4,8,10,12-14H2.
What are the key properties of N-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 282.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 141138632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).