[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride

C12H17Cl2FN2O — CID 120844387

IUPAC[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CN(Cc2ccc(Cl)cc2F)CCO1
InChIInChI=1S/C12H16ClFN2O.ClH/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;1H
InChIKeyNVAQVHPDORTHMX-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.06
Rot. Bonds3

About [4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride

[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride (PubChem CID 120844387) has the molecular formula C12H17Cl2FN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is [4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
PubChem CID120844387
Molecular FormulaC12H17Cl2FN2O
Molecular Weight295.18 g/mol
Exact Mass294.07
IUPAC Name[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CN(Cc2ccc(Cl)cc2F)CCO1
InChIInChI=1S/C12H16ClFN2O.ClH/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;1H
InChIKeyNVAQVHPDORTHMX-UHFFFAOYSA-N
XLogP2.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 171625171
4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine
CID 131930506
[4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride
CID 154887461
4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine
CID 81212861
[4-[(2,6-difluoro-3-iodophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844446
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide
CID 114394862
[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-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol
CID 91648632
4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
CID 79582785
[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844386

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride (CID 120844387) is [4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride is Cl.NCC1CN(Cc2ccc(Cl)cc2F)CCO1.
What is the InChIKey of [4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride?
The InChIKey is NVAQVHPDORTHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O.ClH/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;1H.
What are the key properties of [4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride?
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride has a molecular weight of 295.18 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120844387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).