[2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride

C10H14ClFN2O2 — CID 67439203

IUPAC[2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride
SMILESCN(C)C(=O)Oc1cc(F)ccc1CN.Cl
InChIInChI=1S/C10H13FN2O2.ClH/c1-13(2)10(14)15-9-5-8(11)4-3-7(9)6-12;/h3-5H,6,12H2,1-2H3;1H
InChIKeyZLACLBVVZDFAHK-UHFFFAOYSA-N
MW248.69 g/mol
LogP1.77
Rot. Bonds2

About [2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride

[2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride (PubChem CID 67439203) has the molecular formula C10H14ClFN2O2 and a molecular weight of 248.69 g/mol. Its IUPAC name is [2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride
PubChem CID67439203
Molecular FormulaC10H14ClFN2O2
Molecular Weight248.69 g/mol
Exact Mass248.07
IUPAC Name[2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride
SMILESCN(C)C(=O)Oc1cc(F)ccc1CN.Cl
InChIInChI=1S/C10H13FN2O2.ClH/c1-13(2)10(14)15-9-5-8(11)4-3-7(9)6-12;/h3-5H,6,12H2,1-2H3;1H
InChIKeyZLACLBVVZDFAHK-UHFFFAOYSA-N
XLogP1.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyano-5-fluorophenyl) N,N-dimethylcarbamate
CID 58777394
2-(aminomethyl)-5-fluorobenzamide;hydrochloride
CID 173145989
[2-(aminomethyl)-4-fluorophenyl] acetate
CID 151844429
ethoxycarbonyl 2-(2-ethoxycarbonyloxy-4-fluorophenyl)acetate
CID 118612853
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 64769499
2-(aminomethyl)-5-fluoro-N,N-dimethylaniline
CID 117110792
methyl 3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enoate
CID 169478976
[2-(2-bromoethyl)-5-fluorophenyl] carbamate
CID 174456451
ethyl 3-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]propanoate
CID 63380921
methyl 2-(2-amino-4-fluorophenyl)acetate
CID 54072159
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride?
The IUPAC name of [2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride (CID 67439203) is [2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride?
The canonical SMILES for [2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride is CN(C)C(=O)Oc1cc(F)ccc1CN.Cl.
What is the InChIKey of [2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride?
The InChIKey is ZLACLBVVZDFAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2.ClH/c1-13(2)10(14)15-9-5-8(11)4-3-7(9)6-12;/h3-5H,6,12H2,1-2H3;1H.
What are the key properties of [2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride?
[2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride has a molecular weight of 248.69 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride is sourced from PubChem (CID 67439203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).