N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine

C13H18ClFN2O — CID 117044833

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine
SMILESCN(Cc1cc(Cl)ccc1F)CC1COCCN1
InChIInChI=1S/C13H18ClFN2O/c1-17(8-12-9-18-5-4-16-12)7-10-6-11(14)2-3-13(10)15/h2-3,6,12,16H,4-5,7-9H2,1H3
InChIKeyNVZMGQLAYTVWAD-UHFFFAOYSA-N
MW272.75 g/mol
LogP1.90
Rot. Bonds4

About N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine

N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine (PubChem CID 117044833) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine
PubChem CID117044833
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine
SMILESCN(Cc1cc(Cl)ccc1F)CC1COCCN1
InChIInChI=1S/C13H18ClFN2O/c1-17(8-12-9-18-5-4-16-12)7-10-6-11(14)2-3-13(10)15/h2-3,6,12,16H,4-5,7-9H2,1H3
InChIKeyNVZMGQLAYTVWAD-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

2-(4-chlorophenyl)-N-methyl-N-(morpholin-3-ylmethyl)ethanamine
CID 115238174
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650
1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine
CID 115207693
3-[(4-chloro-2-methylphenyl)methyl]morpholine
CID 82287728
3-[(5-chloro-2-methoxyphenyl)methyl]morpholine
CID 82293165
1-(4-chloro-2-fluorophenyl)-2-methyl-3-morpholin-3-ylpropan-2-ol
CID 114852724
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine
CID 115239045
N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106635442
[(5-chloro-2-fluorophenyl)methyl-methylamino]methanol
CID 115229181
N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine
CID 66723590
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine
CID 124548892

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine (CID 117044833) is N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine is CN(Cc1cc(Cl)ccc1F)CC1COCCN1.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine?
The InChIKey is NVZMGQLAYTVWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-17(8-12-9-18-5-4-16-12)7-10-6-11(14)2-3-13(10)15/h2-3,6,12,16H,4-5,7-9H2,1H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine?
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine has a molecular weight of 272.75 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine is sourced from PubChem (CID 117044833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).