[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine

C16H25N3O — CID 114397914

IUPAC[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine
SMILESCN1CCCc2cc(CN3CCOC(CN)C3)ccc21
InChIInChI=1S/C16H25N3O/c1-18-6-2-3-14-9-13(4-5-16(14)18)11-19-7-8-20-15(10-17)12-19/h4-5,9,15H,2-3,6-8,10-12,17H2,1H3
InChIKeyXNCMQNAFQXBWHZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.23
Rot. Bonds3

About [4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine

[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine (PubChem CID 114397914) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine
PubChem CID114397914
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine
SMILESCN1CCCc2cc(CN3CCOC(CN)C3)ccc21
InChIInChI=1S/C16H25N3O/c1-18-6-2-3-14-9-13(4-5-16(14)18)11-19-7-8-20-15(10-17)12-19/h4-5,9,15H,2-3,6-8,10-12,17H2,1H3
InChIKeyXNCMQNAFQXBWHZ-UHFFFAOYSA-N
XLogP1.23
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
[4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine
CID 61338959
4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881842
[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393440
1-(4-ethylmorpholin-2-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine
CID 115756743
5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile
CID 114397814
[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine
CID 120844436
[4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine
CID 114394884
4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid
CID 65063198
5-methyl-N-[6-[(2R)-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
CID 125002482
[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844386

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine (CID 114397914) is [4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine is CN1CCCc2cc(CN3CCOC(CN)C3)ccc21.
What is the InChIKey of [4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine?
The InChIKey is XNCMQNAFQXBWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18-6-2-3-14-9-13(4-5-16(14)18)11-19-7-8-20-15(10-17)12-19/h4-5,9,15H,2-3,6-8,10-12,17H2,1H3.
What are the key properties of [4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine?
[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine has a molecular weight of 275.40 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114397914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).