(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride

C8H10ClF2NO — CID 162342560

IUPAC(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1cc(F)c(CN)c(F)c1.Cl
InChIInChI=1S/C8H9F2NO.ClH/c1-12-5-2-7(9)6(4-11)8(10)3-5;/h2-3H,4,11H2,1H3;1H
InChIKeyDWPRHLRUKXOWMS-UHFFFAOYSA-N
MW209.62 g/mol
LogP1.85
Rot. Bonds2

About (2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride

(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride (PubChem CID 162342560) has the molecular formula C8H10ClF2NO and a molecular weight of 209.62 g/mol. Its IUPAC name is (2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride
PubChem CID162342560
Molecular FormulaC8H10ClF2NO
Molecular Weight209.62 g/mol
Exact Mass209.04
IUPAC Name(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1cc(F)c(CN)c(F)c1.Cl
InChIInChI=1S/C8H9F2NO.ClH/c1-12-5-2-7(9)6(4-11)8(10)3-5;/h2-3H,4,11H2,1H3;1H
InChIKeyDWPRHLRUKXOWMS-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.62
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-4-methoxyphenyl)methanol
CID 3736239
1,3-difluoro-5-methoxy-2-propylbenzene
CID 89112657
2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene
CID 53403518
(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117303787
(2,6-difluoro-4-methylphenyl)methanamine
CID 118595303
[2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine
CID 79517647
2-(2,6-difluoro-4-methoxyphenyl)acetonitrile
CID 3869500
(4-bromo-2,6-difluorophenyl)methanamine;hydrochloride
CID 73012230
2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine
CID 130066698
1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992878
(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992875

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride (CID 162342560) is (2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride is COc1cc(F)c(CN)c(F)c1.Cl.
What is the InChIKey of (2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride?
The InChIKey is DWPRHLRUKXOWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO.ClH/c1-12-5-2-7(9)6(4-11)8(10)3-5;/h2-3H,4,11H2,1H3;1H.
What are the key properties of (2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride?
(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride has a molecular weight of 209.62 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 162342560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).