[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine

C12H16Cl2N2O — CID 114393379

IUPAC[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2ccc(Cl)cc2Cl)CCO1
InChIInChI=1S/C12H16Cl2N2O/c13-10-2-1-9(12(14)5-10)7-16-3-4-17-11(6-15)8-16/h1-2,5,11H,3-4,6-8,15H2
InChIKeyUFDORZYXFNHXJW-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.15
Rot. Bonds3

About [4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine

[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine (PubChem CID 114393379) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is [4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
PubChem CID114393379
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2ccc(Cl)cc2Cl)CCO1
InChIInChI=1S/C12H16Cl2N2O/c13-10-2-1-9(12(14)5-10)7-16-3-4-17-11(6-15)8-16/h1-2,5,11H,3-4,6-8,15H2
InChIKeyUFDORZYXFNHXJW-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 171625171
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
[4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride
CID 154887461
4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine
CID 115598233
[4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol
CID 91648632
4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81214267
2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine
CID 81213276
4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
CID 79582785
1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
CID 65245032
[4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine
CID 61338959

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine (CID 114393379) is [4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine is NCC1CN(Cc2ccc(Cl)cc2Cl)CCO1.
What is the InChIKey of [4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine?
The InChIKey is UFDORZYXFNHXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c13-10-2-1-9(12(14)5-10)7-16-3-4-17-11(6-15)8-16/h1-2,5,11H,3-4,6-8,15H2.
What are the key properties of [4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine?
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine has a molecular weight of 275.18 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114393379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).