N-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine

C17H18N2OS — CID 107315206

IUPACN-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine
SMILESCc1ccc(CNCCOc2ccc3cccnc3c2)s1
InChIInChI=1S/C17H18N2OS/c1-13-4-7-16(21-13)12-18-9-10-20-15-6-5-14-3-2-8-19-17(14)11-15/h2-8,11,18H,9-10,12H2,1H3
InChIKeyIEMHULHSMJLTAM-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.77
Rot. Bonds6

About N-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine

N-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine (PubChem CID 107315206) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine
PubChem CID107315206
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine
SMILESCc1ccc(CNCCOc2ccc3cccnc3c2)s1
InChIInChI=1S/C17H18N2OS/c1-13-4-7-16(21-13)12-18-9-10-20-15-6-5-14-3-2-8-19-17(14)11-15/h2-8,11,18H,9-10,12H2,1H3
InChIKeyIEMHULHSMJLTAM-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
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-2-quinolin-7-yloxyethanamine
CID 107313475
N',N'-dimethyl-N-(2-quinolin-7-yloxyethyl)ethane-1,2-diamine
CID 107315215
2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62572739
2-(4-methylsulfanylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63648590
N-[(5-methylthiophen-2-yl)methyl]-2-(4-nitrophenoxy)ethanamine
CID 62056067
2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62597904
N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine
CID 107314998
1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone
CID 107314229
N-(3-quinolin-7-yloxypropyl)aniline
CID 107315213
2-(4-butan-2-ylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 107668554
2-(2-bromo-4-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 104708530
3-quinolin-7-yloxypropanal
CID 107314214

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine (CID 107315206) is N-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine is Cc1ccc(CNCCOc2ccc3cccnc3c2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine?
The InChIKey is IEMHULHSMJLTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-13-4-7-16(21-13)12-18-9-10-20-15-6-5-14-3-2-8-19-17(14)11-15/h2-8,11,18H,9-10,12H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine?
N-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine has a molecular weight of 298.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-2-quinolin-7-yloxyethanamine is sourced from PubChem (CID 107315206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).