[4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride

C9H13ClFNO2 — CID 142687563

IUPAC[4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride
SMILESCOc1cc(OCF)ccc1CN.Cl
InChIInChI=1S/C9H12FNO2.ClH/c1-12-9-4-8(13-6-10)3-2-7(9)5-11;/h2-4H,5-6,11H2,1H3;1H
InChIKeyVKXVWKBQNFNCSO-UHFFFAOYSA-N
MW221.66 g/mol
LogP1.88
Rot. Bonds4

About [4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride

[4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride (PubChem CID 142687563) has the molecular formula C9H13ClFNO2 and a molecular weight of 221.66 g/mol. Its IUPAC name is [4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride
PubChem CID142687563
Molecular FormulaC9H13ClFNO2
Molecular Weight221.66 g/mol
Exact Mass221.06
IUPAC Name[4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride
SMILESCOc1cc(OCF)ccc1CN.Cl
InChIInChI=1S/C9H12FNO2.ClH/c1-12-9-4-8(13-6-10)3-2-7(9)5-11;/h2-4H,5-6,11H2,1H3;1H
InChIKeyVKXVWKBQNFNCSO-UHFFFAOYSA-N
XLogP1.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-4-(fluoromethoxy)-2-methoxybenzene
CID 118227774
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786175
[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 69143790
(4-iodo-2-methoxyphenyl)methanamine
CID 91883504
(2,4-dimethoxyphenyl)methanamine;1-(isothiocyanatomethyl)-2,4-dimethoxybenzene
CID 158968323
4-(aminomethyl)-3-methoxybenzonitrile;hydrochloride
CID 18424089
[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine
CID 81299926
2,4-bis(fluoromethoxy)-1-methylbenzene
CID 57232585
[2-(fluoromethoxy)phenyl]methanamine;hydrochloride
CID 158704941
[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 106786322
[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine
CID 54958135

Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride?
The IUPAC name of [4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride (CID 142687563) is [4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride is COc1cc(OCF)ccc1CN.Cl.
What is the InChIKey of [4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride?
The InChIKey is VKXVWKBQNFNCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2.ClH/c1-12-9-4-8(13-6-10)3-2-7(9)5-11;/h2-4H,5-6,11H2,1H3;1H.
What are the key properties of [4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride?
[4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride has a molecular weight of 221.66 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride is sourced from PubChem (CID 142687563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).