N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine

C13H18ClFN2O — CID 4720319

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
SMILESFc1cccc(Cl)c1CNCCN1CCOCC1
InChIInChI=1S/C13H18ClFN2O/c14-12-2-1-3-13(15)11(12)10-16-4-5-17-6-8-18-9-7-17/h1-3,16H,4-10H2
InChIKeyWSYQOQKVICASJG-UHFFFAOYSA-N
MW272.75 g/mol
LogP1.90
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine

N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 4720319) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
PubChem CID4720319
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
SMILESFc1cccc(Cl)c1CNCCN1CCOCC1
InChIInChI=1S/C13H18ClFN2O/c14-12-2-1-3-13(15)11(12)10-16-4-5-17-6-8-18-9-7-17/h1-3,16H,4-10H2
InChIKeyWSYQOQKVICASJG-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 51.90
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

N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrrolidin-1-ylbutan-1-amine
CID 82364520
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 83169171
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine
CID 66537734
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine
CID 124895932
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 66538125
(3R,4R)-1-[(2-chloro-6-fluorophenyl)methyl]-4-(3-morpholin-4-ylpropylamino)piperidin-3-ol
CID 16677335
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 82705234
1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129346
N-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657757
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718315
N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43312645
N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 120509260

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine (CID 4720319) is N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine is Fc1cccc(Cl)c1CNCCN1CCOCC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is WSYQOQKVICASJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c14-12-2-1-3-13(15)11(12)10-16-4-5-17-6-8-18-9-7-17/h1-3,16H,4-10H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 272.75 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 4720319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).