[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride

C13H19ClF2N2O — CID 120844386

IUPAC[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CN(Cc2ccc(C(F)F)cc2)CCO1
InChIInChI=1S/C13H18F2N2O.ClH/c14-13(15)11-3-1-10(2-4-11)8-17-5-6-18-12(7-16)9-17;/h1-4,12-13H,5-9,16H2;1H
InChIKeyAJZXMODUXUAKBK-UHFFFAOYSA-N
MW292.76 g/mol
LogP2.21
Rot. Bonds4

About [4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride

[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride (PubChem CID 120844386) has the molecular formula C13H19ClF2N2O and a molecular weight of 292.76 g/mol. Its IUPAC name is [4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
PubChem CID120844386
Molecular FormulaC13H19ClF2N2O
Molecular Weight292.76 g/mol
Exact Mass292.12
IUPAC Name[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CN(Cc2ccc(C(F)F)cc2)CCO1
InChIInChI=1S/C13H18F2N2O.ClH/c14-13(15)11-3-1-10(2-4-11)8-17-5-6-18-12(7-16)9-17;/h1-4,12-13H,5-9,16H2;1H
InChIKeyAJZXMODUXUAKBK-UHFFFAOYSA-N
XLogP2.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine
CID 61338959
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881842
[1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
CID 120836624
[4-[[4-(2-bromophenyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844448
[4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine
CID 114394884
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine
CID 115524640
[4-(thiophen-2-ylmethyl)morpholin-2-yl]methanamine;dihydrochloride
CID 71432312
[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine
CID 120844436

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride (CID 120844386) is [4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride is Cl.NCC1CN(Cc2ccc(C(F)F)cc2)CCO1.
What is the InChIKey of [4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride?
The InChIKey is AJZXMODUXUAKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O.ClH/c14-13(15)11-3-1-10(2-4-11)8-17-5-6-18-12(7-16)9-17;/h1-4,12-13H,5-9,16H2;1H.
What are the key properties of [4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride?
[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride has a molecular weight of 292.76 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120844386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).