[4-[(2,6-difluoro-3-iodophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride

C12H16ClF2IN2O — CID 120844446

IUPAC[4-[(2,6-difluoro-3-iodophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CN(Cc2c(F)ccc(I)c2F)CCO1
InChIInChI=1S/C12H15F2IN2O.ClH/c13-10-1-2-11(15)12(14)9(10)7-17-3-4-18-8(5-16)6-17;/h1-2,8H,3-7,16H2;1H
InChIKeyRHVCVZSDSJSVEV-UHFFFAOYSA-N
MW404.63 g/mol
LogP2.15
Rot. Bonds3

About [4-[(2,6-difluoro-3-iodophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride

[4-[(2,6-difluoro-3-iodophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride (PubChem CID 120844446) has the molecular formula C12H16ClF2IN2O and a molecular weight of 404.63 g/mol. Its IUPAC name is [4-[(2,6-difluoro-3-iodophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[(2,6-difluoro-3-iodophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
PubChem CID120844446
Molecular FormulaC12H16ClF2IN2O
Molecular Weight404.63 g/mol
Exact Mass404.00
IUPAC Name[4-[(2,6-difluoro-3-iodophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CN(Cc2c(F)ccc(I)c2F)CCO1
InChIInChI=1S/C12H15F2IN2O.ClH/c13-10-1-2-11(15)12(14)9(10)7-17-3-4-18-8(5-16)6-17;/h1-2,8H,3-7,16H2;1H
InChIKeyRHVCVZSDSJSVEV-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.63
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
1-[1-[(2,6-difluoro-3-iodophenyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843374
[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844386
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
4-[(3-bromo-2,6-difluorophenyl)methyl]morpholine-2-carbonitrile
CID 106264004
[4-(thiophen-2-ylmethyl)morpholin-2-yl]methanamine;dihydrochloride
CID 71432312
4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881842
2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline
CID 63330879
methyl 2-[4-[(3-bromo-2,6-difluorophenyl)methyl]morpholin-2-yl]acetate
CID 106270408
[4-[[2-(methoxymethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 114397886
[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine
CID 120844436
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-difluoro-3-iodophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-[(2,6-difluoro-3-iodophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride (CID 120844446) is [4-[(2,6-difluoro-3-iodophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-[(2,6-difluoro-3-iodophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-[(2,6-difluoro-3-iodophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride is Cl.NCC1CN(Cc2c(F)ccc(I)c2F)CCO1.
What is the InChIKey of [4-[(2,6-difluoro-3-iodophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride?
The InChIKey is RHVCVZSDSJSVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2IN2O.ClH/c13-10-1-2-11(15)12(14)9(10)7-17-3-4-18-8(5-16)6-17;/h1-2,8H,3-7,16H2;1H.
What are the key properties of [4-[(2,6-difluoro-3-iodophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride?
[4-[(2,6-difluoro-3-iodophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride has a molecular weight of 404.63 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-[(2,6-difluoro-3-iodophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120844446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).